1,2-dimethyl-3-(4-methylpentyl)-1-pent-4-enylguanidine

C14H29N3 — CID 109497597

IUPAC1,2-dimethyl-3-(4-methylpentyl)-1-pent-4-enylguanidine
SMILESC=CCCCN(C)/C(=N/C)NCCCC(C)C
InChIInChI=1S/C14H29N3/c1-6-7-8-12-17(5)14(15-4)16-11-9-10-13(2)3/h6,13H,1,7-12H2,2-5H3,(H,15,16)
InChIKeyNWAJJNXAYXZPQU-UHFFFAOYSA-N
MW239.41 g/mol
LogP2.90
Rot. Bonds8

About 1,2-dimethyl-3-(4-methylpentyl)-1-pent-4-enylguanidine

1,2-dimethyl-3-(4-methylpentyl)-1-pent-4-enylguanidine (PubChem CID 109497597) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is 1,2-dimethyl-3-(4-methylpentyl)-1-pent-4-enylguanidine.

Molecular Properties

Compound Name1,2-dimethyl-3-(4-methylpentyl)-1-pent-4-enylguanidine
PubChem CID109497597
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name1,2-dimethyl-3-(4-methylpentyl)-1-pent-4-enylguanidine
SMILESC=CCCCN(C)/C(=N/C)NCCCC(C)C
InChIInChI=1S/C14H29N3/c1-6-7-8-12-17(5)14(15-4)16-11-9-10-13(2)3/h6,13H,1,7-12H2,2-5H3,(H,15,16)
InChIKeyNWAJJNXAYXZPQU-UHFFFAOYSA-N
XLogP2.90
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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'}

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Related Compounds

3-Ethyl-2-(3-fluoropropyl)-1-hept-6-enyl-1-methylguanidine
CID 109484011
3-(3-Fluoropropyl)-1-hept-6-enyl-1,2-dimethylguanidine
CID 109484401
3-Ethyl-1-methyl-1-pent-4-enyl-2-(5,5,5-trifluoropentyl)guanidine
CID 109496894
3-Ethyl-2-(3-fluoropropyl)-1-methyl-1-pent-4-enylguanidine
CID 109498332
1,2-Dimethyl-1-pent-4-enyl-3-(5,5,5-trifluoropentyl)guanidine
CID 109498806
3-(3-Fluoropropyl)-1,2-dimethyl-1-pent-4-enylguanidine
CID 109499214
1-Methyl-1-pent-4-enyl-2,3-di(propan-2-yl)guanidine
CID 90360688
N'-methyl-N-(2,4,7-trimethyloct-5-enyl)methanimidamide
CID 123570444
1,2-Dimethyl-3-(4-methylpent-4-enyl)guanidine;molecular hydrogen
CID 142877495
2-cyclohex-3-en-1-yl-4-N,4-N-dimethyl-1,2-dihydro-1,3,5-triazine-4,6-diamine
CID 176537741
(3R,5S)-N',3,5-trimethyl-N-prop-2-enylpiperidine-1-carboximidamide
CID 95905149
(3S,5S)-N',3,5-trimethyl-N-prop-2-enylpiperidine-1-carboximidamide
CID 95905150

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-(4-methylpentyl)-1-pent-4-enylguanidine?
The IUPAC name of 1,2-dimethyl-3-(4-methylpentyl)-1-pent-4-enylguanidine (CID 109497597) is 1,2-dimethyl-3-(4-methylpentyl)-1-pent-4-enylguanidine.
What is the SMILES notation for 1,2-dimethyl-3-(4-methylpentyl)-1-pent-4-enylguanidine?
The canonical SMILES for 1,2-dimethyl-3-(4-methylpentyl)-1-pent-4-enylguanidine is C=CCCCN(C)/C(=N/C)NCCCC(C)C.
What is the InChIKey of 1,2-dimethyl-3-(4-methylpentyl)-1-pent-4-enylguanidine?
The InChIKey is NWAJJNXAYXZPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-6-7-8-12-17(5)14(15-4)16-11-9-10-13(2)3/h6,13H,1,7-12H2,2-5H3,(H,15,16).
What are the key properties of 1,2-dimethyl-3-(4-methylpentyl)-1-pent-4-enylguanidine?
1,2-dimethyl-3-(4-methylpentyl)-1-pent-4-enylguanidine has a molecular weight of 239.41 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-(4-methylpentyl)-1-pent-4-enylguanidine is sourced from PubChem (CID 109497597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).