5,5-dimethyl-6,6-dipropylnonane-4,4-diamine

C17H38N2 — CID 141278434

IUPAC5,5-dimethyl-6,6-dipropylnonane-4,4-diamine
SMILESCCCC(N)(N)C(C)(C)C(CCC)(CCC)CCC
InChIInChI=1S/C17H38N2/c1-7-11-16(12-8-2,13-9-3)15(5,6)17(18,19)14-10-4/h7-14,18-19H2,1-6H3
InChIKeyQWJSRTNEHRCPFE-UHFFFAOYSA-N
MW270.50 g/mol
LogP4.81
Rot. Bonds10

About 5,5-dimethyl-6,6-dipropylnonane-4,4-diamine

5,5-dimethyl-6,6-dipropylnonane-4,4-diamine (PubChem CID 141278434) has the molecular formula C17H38N2 and a molecular weight of 270.50 g/mol. Its IUPAC name is 5,5-dimethyl-6,6-dipropylnonane-4,4-diamine.

Molecular Properties

Compound Name5,5-dimethyl-6,6-dipropylnonane-4,4-diamine
PubChem CID141278434
Molecular FormulaC17H38N2
Molecular Weight270.50 g/mol
Exact Mass270.30
IUPAC Name5,5-dimethyl-6,6-dipropylnonane-4,4-diamine
SMILESCCCC(N)(N)C(C)(C)C(CCC)(CCC)CCC
InChIInChI=1S/C17H38N2/c1-7-11-16(12-8-2,13-9-3)15(5,6)17(18,19)14-10-4/h7-14,18-19H2,1-6H3
InChIKeyQWJSRTNEHRCPFE-UHFFFAOYSA-N
XLogP4.81
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.50
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-iodopentan-2-amine
CID 144517487
3,3,4-trimethylheptan-4-amine
CID 139427507
5,5-dimethylnonane;bis(2-methylpropan-2-amine)
CID 159841481
4-methylheptan-4-ylhydrazine
CID 23030896
3-ethyl-2,2-dimethylhexan-3-amine
CID 54104973
hexane-3,3-diamine
CID 18331048
2-propylpentane-1,1,1,2-tetramine
CID 141463069
4-bromooctan-4-amine
CID 141227061
4,5-bis(prop-2-enyl)-5-propylocta-1,7-dien-4-amine
CID 87405810
bis(2-methylpropan-2-amine);propane
CID 160822364
CID 59081888
CID 59081888
azane;3-ethylhexan-3-amine
CID 18676269

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-6,6-dipropylnonane-4,4-diamine?
The IUPAC name of 5,5-dimethyl-6,6-dipropylnonane-4,4-diamine (CID 141278434) is 5,5-dimethyl-6,6-dipropylnonane-4,4-diamine.
What is the SMILES notation for 5,5-dimethyl-6,6-dipropylnonane-4,4-diamine?
The canonical SMILES for 5,5-dimethyl-6,6-dipropylnonane-4,4-diamine is CCCC(N)(N)C(C)(C)C(CCC)(CCC)CCC.
What is the InChIKey of 5,5-dimethyl-6,6-dipropylnonane-4,4-diamine?
The InChIKey is QWJSRTNEHRCPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38N2/c1-7-11-16(12-8-2,13-9-3)15(5,6)17(18,19)14-10-4/h7-14,18-19H2,1-6H3.
What are the key properties of 5,5-dimethyl-6,6-dipropylnonane-4,4-diamine?
5,5-dimethyl-6,6-dipropylnonane-4,4-diamine has a molecular weight of 270.50 g/mol, XLogP of 4.81, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-6,6-dipropylnonane-4,4-diamine is sourced from PubChem (CID 141278434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).