6-imino-7,9-dimethyl-5-(4-methylpentan-2-ylidene)decan-1-amine

C18H36N2 — CID 123826399

IUPAC6-imino-7,9-dimethyl-5-(4-methylpentan-2-ylidene)decan-1-amine
SMILES[H]/N=C(/C(CCCCN)=C(C)CC(C)C)C(C)CC(C)C
InChIInChI=1S/C18H36N2/c1-13(2)11-15(5)17(9-7-8-10-19)18(20)16(6)12-14(3)4/h13-14,16,20H,7-12,19H2,1-6H3/b17-15?,20-18+
InChIKeyGXSIXOYMONWGOC-HLEAWDJKSA-N
MW280.50 g/mol
LogP5.18
Rot. Bonds10

About 6-imino-7,9-dimethyl-5-(4-methylpentan-2-ylidene)decan-1-amine

6-imino-7,9-dimethyl-5-(4-methylpentan-2-ylidene)decan-1-amine (PubChem CID 123826399) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 6-imino-7,9-dimethyl-5-(4-methylpentan-2-ylidene)decan-1-amine.

Molecular Properties

Compound Name6-imino-7,9-dimethyl-5-(4-methylpentan-2-ylidene)decan-1-amine
PubChem CID123826399
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name6-imino-7,9-dimethyl-5-(4-methylpentan-2-ylidene)decan-1-amine
SMILES[H]/N=C(/C(CCCCN)=C(C)CC(C)C)C(C)CC(C)C
InChIInChI=1S/C18H36N2/c1-13(2)11-15(5)17(9-7-8-10-19)18(20)16(6)12-14(3)4/h13-14,16,20H,7-12,19H2,1-6H3/b17-15?,20-18+
InChIKeyGXSIXOYMONWGOC-HLEAWDJKSA-N
XLogP5.18
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.50
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-iminooctan-1-amine
CID 174433043
10-amino-2-methyldecan-4-one
CID 116551412
(2S)-2-(6-aminohexanoylamino)-4-methylpentanamide
CID 89070507
(4S)-4,23-diamino-2-methyltricosan-5-one
CID 150736114
3-imino-4-methylhexan-2-one
CID 174544860
6-amino-2-[2-(1-carboxy-3-methylbutyl)hydrazinyl]hexanoic acid
CID 174159805
2-[[(2S)-2-(6-aminohexanoylamino)-4-methylpentanoyl]amino]acetic acid
CID 89183168
5-methyl-4-methylidenenonane-1,9-diamine
CID 174330034
5-[[7-amino-1-[(5-methyl-2-oxohexan-3-yl)amino]-1,2-dioxoheptan-3-yl]amino]-4-methyl-5-oxopentanoic acid
CID 23393704
(2S)-2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-6-aminohexanoic acid
CID 134687092
acetic acid;(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-4-methylpentanoic acid
CID 56845970
11-amino-3-methylundecan-4-one
CID 176580818

Frequently Asked Questions

What is the IUPAC name of 6-imino-7,9-dimethyl-5-(4-methylpentan-2-ylidene)decan-1-amine?
The IUPAC name of 6-imino-7,9-dimethyl-5-(4-methylpentan-2-ylidene)decan-1-amine (CID 123826399) is 6-imino-7,9-dimethyl-5-(4-methylpentan-2-ylidene)decan-1-amine.
What is the SMILES notation for 6-imino-7,9-dimethyl-5-(4-methylpentan-2-ylidene)decan-1-amine?
The canonical SMILES for 6-imino-7,9-dimethyl-5-(4-methylpentan-2-ylidene)decan-1-amine is [H]/N=C(/C(CCCCN)=C(C)CC(C)C)C(C)CC(C)C.
What is the InChIKey of 6-imino-7,9-dimethyl-5-(4-methylpentan-2-ylidene)decan-1-amine?
The InChIKey is GXSIXOYMONWGOC-HLEAWDJKSA-N. The full InChI is InChI=1S/C18H36N2/c1-13(2)11-15(5)17(9-7-8-10-19)18(20)16(6)12-14(3)4/h13-14,16,20H,7-12,19H2,1-6H3/b17-15?,20-18+.
What are the key properties of 6-imino-7,9-dimethyl-5-(4-methylpentan-2-ylidene)decan-1-amine?
6-imino-7,9-dimethyl-5-(4-methylpentan-2-ylidene)decan-1-amine has a molecular weight of 280.50 g/mol, XLogP of 5.18, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imino-7,9-dimethyl-5-(4-methylpentan-2-ylidene)decan-1-amine is sourced from PubChem (CID 123826399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).