3-imino-9-methyldecan-2-amine

C11H24N2 — CID 123211066

IUPAC3-imino-9-methyldecan-2-amine
SMILES[H]/N=C(\CCCCCC(C)C)C(C)N
InChIInChI=1S/C11H24N2/c1-9(2)7-5-4-6-8-11(13)10(3)12/h9-10,13H,4-8,12H2,1-3H3/b13-11+
InChIKeyOYJGDPNWYVEMJH-ACCUITESSA-N
MW184.33 g/mol
LogP2.96
Rot. Bonds7

About 3-imino-9-methyldecan-2-amine

3-imino-9-methyldecan-2-amine (PubChem CID 123211066) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is 3-imino-9-methyldecan-2-amine.

Molecular Properties

Compound Name3-imino-9-methyldecan-2-amine
PubChem CID123211066
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC Name3-imino-9-methyldecan-2-amine
SMILES[H]/N=C(\CCCCCC(C)C)C(C)N
InChIInChI=1S/C11H24N2/c1-9(2)7-5-4-6-8-11(13)10(3)12/h9-10,13H,4-8,12H2,1-3H3/b13-11+
InChIKeyOYJGDPNWYVEMJH-ACCUITESSA-N
XLogP2.96
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 52.96
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

10-hexyloctadecan-9-imine
CID 170012526
(6-amino-1-hydroxy-5-imino-1-phosphonoheptyl)phosphonic acid
CID 57238811
2,34-dimethylpentatriacontan-18-amine
CID 141007495
2,22-dimethyltricosane
CID 58100191
2,9-dimethyldecane;2,11-dimethyldodecane;2,8-dimethylnonane;2,7-dimethyloctane;2,10-dimethylundecane
CID 161261647
1,1-bis(11-methyldodecyl)guanidine
CID 19826644
17-methyloctadecane-1,1-diamine
CID 154316058
18-methylnonadecan-2-one
CID 90921447
2,16-dimethylheptadecan-6-one
CID 158111781
16-methylheptadecanoic acid
CID 87200881
8-methylnonan-2-one
CID 528744
hydroxylamine;2-methylnonadecane
CID 87902402

Frequently Asked Questions

What is the IUPAC name of 3-imino-9-methyldecan-2-amine?
The IUPAC name of 3-imino-9-methyldecan-2-amine (CID 123211066) is 3-imino-9-methyldecan-2-amine.
What is the SMILES notation for 3-imino-9-methyldecan-2-amine?
The canonical SMILES for 3-imino-9-methyldecan-2-amine is [H]/N=C(\CCCCCC(C)C)C(C)N.
What is the InChIKey of 3-imino-9-methyldecan-2-amine?
The InChIKey is OYJGDPNWYVEMJH-ACCUITESSA-N. The full InChI is InChI=1S/C11H24N2/c1-9(2)7-5-4-6-8-11(13)10(3)12/h9-10,13H,4-8,12H2,1-3H3/b13-11+.
What are the key properties of 3-imino-9-methyldecan-2-amine?
3-imino-9-methyldecan-2-amine has a molecular weight of 184.33 g/mol, XLogP of 2.96, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imino-9-methyldecan-2-amine is sourced from PubChem (CID 123211066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).