1-N'-butan-2-yl-5-but-2-en-2-yl-1-N,6-dimethylocta-3,6-diene-1,1,8-triamine

C18H35N3 — CID 123832821

IUPAC1-N'-butan-2-yl-5-but-2-en-2-yl-1-N,6-dimethylocta-3,6-diene-1,1,8-triamine
SMILESCC=C(C)C(C=CCC(NC)NC(C)CC)C(C)=CCN
InChIInChI=1S/C18H35N3/c1-7-14(3)17(15(4)12-13-19)10-9-11-18(20-6)21-16(5)8-2/h7,9-10,12,16-18,20-21H,8,11,13,19H2,1-6H3
InChIKeyXLEYVJGAKLSIOL-UHFFFAOYSA-N
MW293.50 g/mol
LogP3.35
Rot. Bonds10

About 1-N'-butan-2-yl-5-but-2-en-2-yl-1-N,6-dimethylocta-3,6-diene-1,1,8-triamine

1-N'-butan-2-yl-5-but-2-en-2-yl-1-N,6-dimethylocta-3,6-diene-1,1,8-triamine (PubChem CID 123832821) has the molecular formula C18H35N3 and a molecular weight of 293.50 g/mol. Its IUPAC name is 1-N'-butan-2-yl-5-but-2-en-2-yl-1-N,6-dimethylocta-3,6-diene-1,1,8-triamine.

Molecular Properties

Compound Name1-N'-butan-2-yl-5-but-2-en-2-yl-1-N,6-dimethylocta-3,6-diene-1,1,8-triamine
PubChem CID123832821
Molecular FormulaC18H35N3
Molecular Weight293.50 g/mol
Exact Mass293.28
IUPAC Name1-N'-butan-2-yl-5-but-2-en-2-yl-1-N,6-dimethylocta-3,6-diene-1,1,8-triamine
SMILESCC=C(C)C(C=CCC(NC)NC(C)CC)C(C)=CCN
InChIInChI=1S/C18H35N3/c1-7-14(3)17(15(4)12-13-19)10-9-11-18(20-6)21-16(5)8-2/h7,9-10,12,16-18,20-21H,8,11,13,19H2,1-6H3
InChIKeyXLEYVJGAKLSIOL-UHFFFAOYSA-N
XLogP3.35
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-N'-butan-2-yl-5-but-2-en-2-yl-1-N,6-dimethylocta-3,6-diene-1,1,8-triamine with MolForge

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Related Compounds

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(Z)-3-methyl-4-N-(5-methylcyclopent-2-en-1-yl)pent-2-ene-1,4-diamine
CID 117878293
1-N-(4,8-dimethylnona-3,7-dien-2-yl)-2,5,9-trimethyldeca-4,8-diene-1,3-diamine
CID 123137046
N,4,8-trimethyl-1,2,5,8-tetrahydroazocin-2-amine
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N-methyl-N'-(3-methyloct-4-en-2-yl)methanediamine
CID 123318977
N'-but-3-en-2-yl-N-(2-but-2-enyl-3-ethylhex-4-enyl)methanediamine
CID 123573653
5-butan-2-yl-N,3-dimethyl-1,2,3,6-tetrahydropyridin-6-amine
CID 123905526
7-N-(1-amino-2-methylpropyl)-6-ethylidene-1-N,8-dimethyl-2-methylideneundec-9-ene-1,7-diamine
CID 123959167
N-butan-2-yl-3-ethyl-5,9-dimethyl-1,2,3,4,5,6,9,10-octahydroazecin-2-amine
CID 124034470
N',N'-dimethyl-N-[(6R)-2,5,6-trimethylnon-4-en-3-yl]methanediamine
CID 129302701
1-N-(2-methylbutyl)-1-N'-[(E)-3-methylhept-3-en-2-yl]prop-2-ene-1,1-diamine
CID 138495117
2-[(3Z,5E)-6,7-dimethylnona-1,3,5-trien-2-yl]-N-(4-ethenylhexa-3,5-dien-3-yl)-1H-pyridin-2-amine
CID 138498288

Frequently Asked Questions

What is the IUPAC name of 1-N'-butan-2-yl-5-but-2-en-2-yl-1-N,6-dimethylocta-3,6-diene-1,1,8-triamine?
The IUPAC name of 1-N'-butan-2-yl-5-but-2-en-2-yl-1-N,6-dimethylocta-3,6-diene-1,1,8-triamine (CID 123832821) is 1-N'-butan-2-yl-5-but-2-en-2-yl-1-N,6-dimethylocta-3,6-diene-1,1,8-triamine.
What is the SMILES notation for 1-N'-butan-2-yl-5-but-2-en-2-yl-1-N,6-dimethylocta-3,6-diene-1,1,8-triamine?
The canonical SMILES for 1-N'-butan-2-yl-5-but-2-en-2-yl-1-N,6-dimethylocta-3,6-diene-1,1,8-triamine is CC=C(C)C(C=CCC(NC)NC(C)CC)C(C)=CCN.
What is the InChIKey of 1-N'-butan-2-yl-5-but-2-en-2-yl-1-N,6-dimethylocta-3,6-diene-1,1,8-triamine?
The InChIKey is XLEYVJGAKLSIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3/c1-7-14(3)17(15(4)12-13-19)10-9-11-18(20-6)21-16(5)8-2/h7,9-10,12,16-18,20-21H,8,11,13,19H2,1-6H3.
What are the key properties of 1-N'-butan-2-yl-5-but-2-en-2-yl-1-N,6-dimethylocta-3,6-diene-1,1,8-triamine?
1-N'-butan-2-yl-5-but-2-en-2-yl-1-N,6-dimethylocta-3,6-diene-1,1,8-triamine has a molecular weight of 293.50 g/mol, XLogP of 3.35, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-butan-2-yl-5-but-2-en-2-yl-1-N,6-dimethylocta-3,6-diene-1,1,8-triamine is sourced from PubChem (CID 123832821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).