1-N-but-1-en-2-yl-6-methyl-5-methylideneheptane-1,4-diamine

C13H26N2 — CID 170024058

IUPAC1-N-but-1-en-2-yl-6-methyl-5-methylideneheptane-1,4-diamine
SMILESC=C(CC)NCCCC(N)C(=C)C(C)C
InChIInChI=1S/C13H26N2/c1-6-11(4)15-9-7-8-13(14)12(5)10(2)3/h10,13,15H,4-9,14H2,1-3H3
InChIKeyPIPGVCCHMZKIRH-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.82
Rot. Bonds8

About 1-N-but-1-en-2-yl-6-methyl-5-methylideneheptane-1,4-diamine

1-N-but-1-en-2-yl-6-methyl-5-methylideneheptane-1,4-diamine (PubChem CID 170024058) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 1-N-but-1-en-2-yl-6-methyl-5-methylideneheptane-1,4-diamine.

Molecular Properties

Compound Name1-N-but-1-en-2-yl-6-methyl-5-methylideneheptane-1,4-diamine
PubChem CID170024058
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name1-N-but-1-en-2-yl-6-methyl-5-methylideneheptane-1,4-diamine
SMILESC=C(CC)NCCCC(N)C(=C)C(C)C
InChIInChI=1S/C13H26N2/c1-6-11(4)15-9-7-8-13(14)12(5)10(2)3/h10,13,15H,4-9,14H2,1-3H3
InChIKeyPIPGVCCHMZKIRH-UHFFFAOYSA-N
XLogP2.82
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-but-1-en-2-ylpentan-1-amine;ethane
CID 177233508
N-but-1-en-2-yl-6-propan-2-yloxyhexan-1-amine;molecular hydrogen
CID 156747368
4,6-dimethyl-5-methylideneheptan-1-amine
CID 135230946
1-N-butyl-1-N'-(4-methylpentyl)ethene-1,1-diamine
CID 170319243
ethane;6-methyl-1-N-tetracont-1-en-2-ylhept-6-ene-1,5-diamine
CID 162689305
(2S)-2-amino-N-butylhexanamide;hydrochloride
CID 86592163
14-methyl-N-(4-methylpentyl)pentadec-1-en-2-amine
CID 170250998
5,7-dimethyl-6-methylideneoctan-1-amine
CID 129100170
ethyl 2-amino-5-(carbamoylamino)pentanoate;hydrochloride
CID 74933713
5-[[(2R)-2-aminopentanoyl]amino]-2-methylpentanoic acid
CID 103870686
(2S)-2-amino-N-dodecylhexanamide;hydrochloride
CID 135364190
(2S)-2-amino-N-[2-(2-methylpropanoylamino)ethyl]hexanamide
CID 103831039

Frequently Asked Questions

What is the IUPAC name of 1-N-but-1-en-2-yl-6-methyl-5-methylideneheptane-1,4-diamine?
The IUPAC name of 1-N-but-1-en-2-yl-6-methyl-5-methylideneheptane-1,4-diamine (CID 170024058) is 1-N-but-1-en-2-yl-6-methyl-5-methylideneheptane-1,4-diamine.
What is the SMILES notation for 1-N-but-1-en-2-yl-6-methyl-5-methylideneheptane-1,4-diamine?
The canonical SMILES for 1-N-but-1-en-2-yl-6-methyl-5-methylideneheptane-1,4-diamine is C=C(CC)NCCCC(N)C(=C)C(C)C.
What is the InChIKey of 1-N-but-1-en-2-yl-6-methyl-5-methylideneheptane-1,4-diamine?
The InChIKey is PIPGVCCHMZKIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-6-11(4)15-9-7-8-13(14)12(5)10(2)3/h10,13,15H,4-9,14H2,1-3H3.
What are the key properties of 1-N-but-1-en-2-yl-6-methyl-5-methylideneheptane-1,4-diamine?
1-N-but-1-en-2-yl-6-methyl-5-methylideneheptane-1,4-diamine has a molecular weight of 210.36 g/mol, XLogP of 2.82, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-but-1-en-2-yl-6-methyl-5-methylideneheptane-1,4-diamine is sourced from PubChem (CID 170024058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).