2-[1-[(Z)-5-(pent-1-en-3-ylamino)oct-5-enyl]iminobutan-2-ylamino]-N'-propylbutanimidamide

C24H47N5 — CID 142216742

IUPAC2-[1-[(Z)-5-(pent-1-en-3-ylamino)oct-5-enyl]iminobutan-2-ylamino]-N'-propylbutanimidamide
SMILESC=CC(CC)N/C(=C\CC)CCCC/N=C/C(CC)NC(CC)/C(N)=N/CCC
InChIInChI=1S/C24H47N5/c1-7-15-22(28-20(9-3)10-4)16-13-14-18-26-19-21(11-5)29-23(12-6)24(25)27-17-8-2/h9,15,19-21,23,28-29H,3,7-8,10-14,16-18H2,1-2,4-6H3,(H2,25,27)/b22-15-,26-19+
InChIKeyJMBZQKCNLMKVOT-AIICTDHCSA-N
MW405.68 g/mol
LogP4.99
Rot. Bonds18

About 2-[1-[(Z)-5-(pent-1-en-3-ylamino)oct-5-enyl]iminobutan-2-ylamino]-N'-propylbutanimidamide

2-[1-[(Z)-5-(pent-1-en-3-ylamino)oct-5-enyl]iminobutan-2-ylamino]-N'-propylbutanimidamide (PubChem CID 142216742) has the molecular formula C24H47N5 and a molecular weight of 405.68 g/mol. Its IUPAC name is 2-[1-[(Z)-5-(pent-1-en-3-ylamino)oct-5-enyl]iminobutan-2-ylamino]-N'-propylbutanimidamide.

Molecular Properties

Compound Name2-[1-[(Z)-5-(pent-1-en-3-ylamino)oct-5-enyl]iminobutan-2-ylamino]-N'-propylbutanimidamide
PubChem CID142216742
Molecular FormulaC24H47N5
Molecular Weight405.68 g/mol
Exact Mass405.38
IUPAC Name2-[1-[(Z)-5-(pent-1-en-3-ylamino)oct-5-enyl]iminobutan-2-ylamino]-N'-propylbutanimidamide
SMILESC=CC(CC)N/C(=C\CC)CCCC/N=C/C(CC)NC(CC)/C(N)=N/CCC
InChIInChI=1S/C24H47N5/c1-7-15-22(28-20(9-3)10-4)16-13-14-18-26-19-21(11-5)29-23(12-6)24(25)27-17-8-2/h9,15,19-21,23,28-29H,3,7-8,10-14,16-18H2,1-2,4-6H3,(H2,25,27)/b22-15-,26-19+
InChIKeyJMBZQKCNLMKVOT-AIICTDHCSA-N
XLogP4.99
TPSA74.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.68
LogP ≤ 54.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[1-[(Z)-5-(pent-1-en-3-ylamino)oct-5-enyl]iminobutan-2-ylamino]-N'-propylbutanimidamide with MolForge

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Related Compounds

ethane;2-[1-[(Z)-5-(pent-1-en-3-ylamino)oct-5-enyl]iminobutan-2-ylamino]-N'-propylbutanimidamide
CID 142216741
(Z,3S)-3-N-[(Z)-hept-3-en-4-yl]-2-methylpent-1-ene-1,3-diamine
CID 137384996
N-pent-1-en-3-ylnon-1-en-2-amine
CID 145435341
5-(diaminomethylideneamino)-N-ethylpentanamide
CID 123296097
N-ethenyl-N'-propylethanimidamide
CID 123737533
2-methyl-N-pentylprop-2-en-1-imine
CID 169090203
ethene;methane;2-propyl-1-(N'-propylcarbamimidoyl)guanidine;vanadium
CID 158727971
N'-[2-[[(E)-6-amino-2-methyl-7-propyliminohept-2-enylidene]amino]ethyl]-2-methylpentanimidamide;ethane;2-methylpent-1-en-3-amine
CID 142216724
1-[1-(4-methylphenyl)ethyl]-2-propylguanidine
CID 62362034
N-hexyl-4-methylhepta-1,6-dien-3-imine
CID 123453605
ethane;N'-propylethanimidamide
CID 156797871
N-[(2S)-1-amino-1-oxobutan-2-yl]pentanamide
CID 88957287

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(Z)-5-(pent-1-en-3-ylamino)oct-5-enyl]iminobutan-2-ylamino]-N'-propylbutanimidamide?
The IUPAC name of 2-[1-[(Z)-5-(pent-1-en-3-ylamino)oct-5-enyl]iminobutan-2-ylamino]-N'-propylbutanimidamide (CID 142216742) is 2-[1-[(Z)-5-(pent-1-en-3-ylamino)oct-5-enyl]iminobutan-2-ylamino]-N'-propylbutanimidamide.
What is the SMILES notation for 2-[1-[(Z)-5-(pent-1-en-3-ylamino)oct-5-enyl]iminobutan-2-ylamino]-N'-propylbutanimidamide?
The canonical SMILES for 2-[1-[(Z)-5-(pent-1-en-3-ylamino)oct-5-enyl]iminobutan-2-ylamino]-N'-propylbutanimidamide is C=CC(CC)N/C(=C\CC)CCCC/N=C/C(CC)NC(CC)/C(N)=N/CCC.
What is the InChIKey of 2-[1-[(Z)-5-(pent-1-en-3-ylamino)oct-5-enyl]iminobutan-2-ylamino]-N'-propylbutanimidamide?
The InChIKey is JMBZQKCNLMKVOT-AIICTDHCSA-N. The full InChI is InChI=1S/C24H47N5/c1-7-15-22(28-20(9-3)10-4)16-13-14-18-26-19-21(11-5)29-23(12-6)24(25)27-17-8-2/h9,15,19-21,23,28-29H,3,7-8,10-14,16-18H2,1-2,4-6H3,(H2,25,27)/b22-15-,26-19+.
What are the key properties of 2-[1-[(Z)-5-(pent-1-en-3-ylamino)oct-5-enyl]iminobutan-2-ylamino]-N'-propylbutanimidamide?
2-[1-[(Z)-5-(pent-1-en-3-ylamino)oct-5-enyl]iminobutan-2-ylamino]-N'-propylbutanimidamide has a molecular weight of 405.68 g/mol, XLogP of 4.99, 18 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(Z)-5-(pent-1-en-3-ylamino)oct-5-enyl]iminobutan-2-ylamino]-N'-propylbutanimidamide is sourced from PubChem (CID 142216742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).