3,9-dimethyl-5-methylidenedodecane-4,8-diamine

C15H32N2 — CID 123377256

IUPAC3,9-dimethyl-5-methylidenedodecane-4,8-diamine
SMILESC=C(CCC(N)C(C)CCC)C(N)C(C)CC
InChIInChI=1S/C15H32N2/c1-6-8-12(4)14(16)10-9-13(5)15(17)11(3)7-2/h11-12,14-15H,5-10,16-17H2,1-4H3
InChIKeyRMQCGHUKDSSDJI-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.46
Rot. Bonds9

About 3,9-dimethyl-5-methylidenedodecane-4,8-diamine

3,9-dimethyl-5-methylidenedodecane-4,8-diamine (PubChem CID 123377256) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is 3,9-dimethyl-5-methylidenedodecane-4,8-diamine.

Molecular Properties

Compound Name3,9-dimethyl-5-methylidenedodecane-4,8-diamine
PubChem CID123377256
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC Name3,9-dimethyl-5-methylidenedodecane-4,8-diamine
SMILESC=C(CCC(N)C(C)CCC)C(N)C(C)CC
InChIInChI=1S/C15H32N2/c1-6-8-12(4)14(16)10-9-13(5)15(17)11(3)7-2/h11-12,14-15H,5-10,16-17H2,1-4H3
InChIKeyRMQCGHUKDSSDJI-UHFFFAOYSA-N
XLogP3.46
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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8-Nonen-4-amine, 2-methyl-
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(3R)-3,7-dimethyl-6-methylideneoctan-1-amine
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12,15-Difluoro-5,6,9,10,14-pentamethyl-13-methylidenepentadecan-2-amine
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CID 14975386
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CID 19809792

Frequently Asked Questions

What is the IUPAC name of 3,9-dimethyl-5-methylidenedodecane-4,8-diamine?
The IUPAC name of 3,9-dimethyl-5-methylidenedodecane-4,8-diamine (CID 123377256) is 3,9-dimethyl-5-methylidenedodecane-4,8-diamine.
What is the SMILES notation for 3,9-dimethyl-5-methylidenedodecane-4,8-diamine?
The canonical SMILES for 3,9-dimethyl-5-methylidenedodecane-4,8-diamine is C=C(CCC(N)C(C)CCC)C(N)C(C)CC.
What is the InChIKey of 3,9-dimethyl-5-methylidenedodecane-4,8-diamine?
The InChIKey is RMQCGHUKDSSDJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-6-8-12(4)14(16)10-9-13(5)15(17)11(3)7-2/h11-12,14-15H,5-10,16-17H2,1-4H3.
What are the key properties of 3,9-dimethyl-5-methylidenedodecane-4,8-diamine?
3,9-dimethyl-5-methylidenedodecane-4,8-diamine has a molecular weight of 240.43 g/mol, XLogP of 3.46, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-dimethyl-5-methylidenedodecane-4,8-diamine is sourced from PubChem (CID 123377256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).