3,3-dimethyl-1-N-(7-methyloctyl)butane-1,2-diamine

C15H34N2 — CID 107815634

IUPAC3,3-dimethyl-1-N-(7-methyloctyl)butane-1,2-diamine
SMILESCC(C)CCCCCCNCC(N)C(C)(C)C
InChIInChI=1S/C15H34N2/c1-13(2)10-8-6-7-9-11-17-12-14(16)15(3,4)5/h13-14,17H,6-12,16H2,1-5H3
InChIKeyWAPFPLUVNCWAOK-UHFFFAOYSA-N
MW242.45 g/mol
LogP3.56
Rot. Bonds9

About 3,3-dimethyl-1-N-(7-methyloctyl)butane-1,2-diamine

3,3-dimethyl-1-N-(7-methyloctyl)butane-1,2-diamine (PubChem CID 107815634) has the molecular formula C15H34N2 and a molecular weight of 242.45 g/mol. Its IUPAC name is 3,3-dimethyl-1-N-(7-methyloctyl)butane-1,2-diamine.

Molecular Properties

Compound Name3,3-dimethyl-1-N-(7-methyloctyl)butane-1,2-diamine
PubChem CID107815634
Molecular FormulaC15H34N2
Molecular Weight242.45 g/mol
Exact Mass242.27
IUPAC Name3,3-dimethyl-1-N-(7-methyloctyl)butane-1,2-diamine
SMILESCC(C)CCCCCCNCC(N)C(C)(C)C
InChIInChI=1S/C15H34N2/c1-13(2)10-8-6-7-9-11-17-12-14(16)15(3,4)5/h13-14,17H,6-12,16H2,1-5H3
InChIKeyWAPFPLUVNCWAOK-UHFFFAOYSA-N
XLogP3.56
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.45
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

11-methyl-N-(6-methylheptyl)dodecan-1-amine
CID 175343740
10-methyl-N-(10-methylundecyl)undecan-1-amine
CID 22625170
1-N-(7-methyloctyl)pentane-1,2-diamine
CID 107815807
3,3-dimethyl-1-N-(2-methylpropyl)butane-1,2-diamine
CID 112555935
N-(2,2-dimethylpropyl)-9-methyldecan-1-amine
CID 146339864
2-(6-methylheptylamino)ethane-1,1-diol
CID 175199502
3-amino-2,2,3-trimethyl-N-(7-methyloctyl)butanamide
CID 65269830
methyl 2-methyl-3-(5-methylhexylamino)propanoate
CID 115325726
1-(7-methyloctylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 103600467
4-methyl-N-(2-methylpropyl)pentan-1-amine
CID 54104955
1-amino-3-(5-methylhexylamino)propan-2-ol
CID 176836498
(2S)-3-(7-methyloctylamino)propane-1,2-diol
CID 107815051

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-N-(7-methyloctyl)butane-1,2-diamine?
The IUPAC name of 3,3-dimethyl-1-N-(7-methyloctyl)butane-1,2-diamine (CID 107815634) is 3,3-dimethyl-1-N-(7-methyloctyl)butane-1,2-diamine.
What is the SMILES notation for 3,3-dimethyl-1-N-(7-methyloctyl)butane-1,2-diamine?
The canonical SMILES for 3,3-dimethyl-1-N-(7-methyloctyl)butane-1,2-diamine is CC(C)CCCCCCNCC(N)C(C)(C)C.
What is the InChIKey of 3,3-dimethyl-1-N-(7-methyloctyl)butane-1,2-diamine?
The InChIKey is WAPFPLUVNCWAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N2/c1-13(2)10-8-6-7-9-11-17-12-14(16)15(3,4)5/h13-14,17H,6-12,16H2,1-5H3.
What are the key properties of 3,3-dimethyl-1-N-(7-methyloctyl)butane-1,2-diamine?
3,3-dimethyl-1-N-(7-methyloctyl)butane-1,2-diamine has a molecular weight of 242.45 g/mol, XLogP of 3.56, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-N-(7-methyloctyl)butane-1,2-diamine is sourced from PubChem (CID 107815634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).