2-methyl-2-N,2-N-bis(3-methylbutyl)octane-1,2-diamine

C19H42N2 — CID 107869523

IUPAC2-methyl-2-N,2-N-bis(3-methylbutyl)octane-1,2-diamine
SMILESCCCCCCC(C)(CN)N(CCC(C)C)CCC(C)C
InChIInChI=1S/C19H42N2/c1-7-8-9-10-13-19(6,16-20)21(14-11-17(2)3)15-12-18(4)5/h17-18H,7-16,20H2,1-6H3
InChIKeyXNYZYCJLGQFLMD-UHFFFAOYSA-N
MW298.56 g/mol
LogP5.07
Rot. Bonds13

About 2-methyl-2-N,2-N-bis(3-methylbutyl)octane-1,2-diamine

2-methyl-2-N,2-N-bis(3-methylbutyl)octane-1,2-diamine (PubChem CID 107869523) has the molecular formula C19H42N2 and a molecular weight of 298.56 g/mol. Its IUPAC name is 2-methyl-2-N,2-N-bis(3-methylbutyl)octane-1,2-diamine.

Molecular Properties

Compound Name2-methyl-2-N,2-N-bis(3-methylbutyl)octane-1,2-diamine
PubChem CID107869523
Molecular FormulaC19H42N2
Molecular Weight298.56 g/mol
Exact Mass298.33
IUPAC Name2-methyl-2-N,2-N-bis(3-methylbutyl)octane-1,2-diamine
SMILESCCCCCCC(C)(CN)N(CCC(C)C)CCC(C)C
InChIInChI=1S/C19H42N2/c1-7-8-9-10-13-19(6,16-20)21(14-11-17(2)3)15-12-18(4)5/h17-18H,7-16,20H2,1-6H3
InChIKeyXNYZYCJLGQFLMD-UHFFFAOYSA-N
XLogP5.07
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.56
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

2-methyl-2-N-(3-methylbutyl)-2-N-propylbutane-1,2-diamine
CID 62007587
2-N-cyclopropyl-2-methyl-2-N-(3-methylbutyl)nonane-1,2-diamine
CID 78944020
2-N,2-dimethyl-2-N-(2-methylpropyl)nonane-1,2-diamine
CID 43271963
2-N-cyclopropyl-2-methyl-2-N-(3-methylbutyl)heptane-1,2-diamine
CID 80558361
2-N,2-N-bis(2-methoxyethyl)-2-methylheptane-1,2-diamine
CID 112723382
2-N,2-dimethyl-2-N-pentan-2-yloctane-1,2-diamine
CID 43571908
2-N-cyclopropyl-2-methyl-2-N-(2-methylpropyl)nonane-1,2-diamine
CID 63465034
2-N,2-dimethyl-2-N-pentan-2-ylheptane-1,2-diamine
CID 80558210
2-N,2-dimethyl-2-N-pentylnonane-1,2-diamine
CID 43294671
2-N-butyl-2-N,2-dimethylnonane-1,2-diamine
CID 43089517
2-N-ethyl-2-methyl-2-N-propan-2-ylheptane-1,2-diamine
CID 80558248
9-methyl-N,N-dioctyloctadecan-9-amine;hydrochloride
CID 175484802

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-N,2-N-bis(3-methylbutyl)octane-1,2-diamine?
The IUPAC name of 2-methyl-2-N,2-N-bis(3-methylbutyl)octane-1,2-diamine (CID 107869523) is 2-methyl-2-N,2-N-bis(3-methylbutyl)octane-1,2-diamine.
What is the SMILES notation for 2-methyl-2-N,2-N-bis(3-methylbutyl)octane-1,2-diamine?
The canonical SMILES for 2-methyl-2-N,2-N-bis(3-methylbutyl)octane-1,2-diamine is CCCCCCC(C)(CN)N(CCC(C)C)CCC(C)C.
What is the InChIKey of 2-methyl-2-N,2-N-bis(3-methylbutyl)octane-1,2-diamine?
The InChIKey is XNYZYCJLGQFLMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H42N2/c1-7-8-9-10-13-19(6,16-20)21(14-11-17(2)3)15-12-18(4)5/h17-18H,7-16,20H2,1-6H3.
What are the key properties of 2-methyl-2-N,2-N-bis(3-methylbutyl)octane-1,2-diamine?
2-methyl-2-N,2-N-bis(3-methylbutyl)octane-1,2-diamine has a molecular weight of 298.56 g/mol, XLogP of 5.07, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-N,2-N-bis(3-methylbutyl)octane-1,2-diamine is sourced from PubChem (CID 107869523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).