2-cyclopropyl-2,4-dimethyl-N-propylhexan-1-amine

C14H29N — CID 83160326

IUPAC2-cyclopropyl-2,4-dimethyl-N-propylhexan-1-amine
SMILESCCCNCC(C)(CC(C)CC)C1CC1
InChIInChI=1S/C14H29N/c1-5-9-15-11-14(4,13-7-8-13)10-12(3)6-2/h12-13,15H,5-11H2,1-4H3
InChIKeyZDXJMCRWSGKZJT-UHFFFAOYSA-N
MW211.39 g/mol
LogP3.84
Rot. Bonds8

About 2-cyclopropyl-2,4-dimethyl-N-propylhexan-1-amine

2-cyclopropyl-2,4-dimethyl-N-propylhexan-1-amine (PubChem CID 83160326) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is 2-cyclopropyl-2,4-dimethyl-N-propylhexan-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-2,4-dimethyl-N-propylhexan-1-amine
PubChem CID83160326
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC Name2-cyclopropyl-2,4-dimethyl-N-propylhexan-1-amine
SMILESCCCNCC(C)(CC(C)CC)C1CC1
InChIInChI=1S/C14H29N/c1-5-9-15-11-14(4,13-7-8-13)10-12(3)6-2/h12-13,15H,5-11H2,1-4H3
InChIKeyZDXJMCRWSGKZJT-UHFFFAOYSA-N
XLogP3.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2,4-trimethyl-N-propylhexan-1-amine
CID 62724538
2-cyclopropyl-2-methyl-4-(3-methylbutoxy)-N-propylbutan-1-amine
CID 83160505
4-butoxy-2-cyclopropyl-2-methyl-N-propylbutan-1-amine
CID 83160233
2-cyclopropyl-2-ethyl-N-propylbutan-1-amine
CID 104819389
2-cyclopropyl-3-(4-ethylphenyl)-2-methyl-N-propylpropan-1-amine
CID 83159323
4-[2-cyclopropyl-2-methyl-3-(propylamino)propyl]phenol
CID 83159515
2-cyclopropyl-3-(furan-3-yl)-2-methyl-N-propylpropan-1-amine
CID 83183414
2-cyclopropyl-2-methyl-4-phenoxy-N-propylbutan-1-amine
CID 83160593
2-cyclopropyl-1-N-(2-methylbutyl)propane-1,2-diamine
CID 62692906
2-cyclopropyl-2,4-dimethyl-N-propan-2-ylpentan-1-amine
CID 83159690
2-cyclopropyl-3-(2,5-difluorophenyl)-2-methyl-N-propylpropan-1-amine
CID 83159508
2-cyclopropyl-2-methyl-N-propyl-4-thiophen-2-ylbutan-1-amine
CID 83159233

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2,4-dimethyl-N-propylhexan-1-amine?
The IUPAC name of 2-cyclopropyl-2,4-dimethyl-N-propylhexan-1-amine (CID 83160326) is 2-cyclopropyl-2,4-dimethyl-N-propylhexan-1-amine.
What is the SMILES notation for 2-cyclopropyl-2,4-dimethyl-N-propylhexan-1-amine?
The canonical SMILES for 2-cyclopropyl-2,4-dimethyl-N-propylhexan-1-amine is CCCNCC(C)(CC(C)CC)C1CC1.
What is the InChIKey of 2-cyclopropyl-2,4-dimethyl-N-propylhexan-1-amine?
The InChIKey is ZDXJMCRWSGKZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N/c1-5-9-15-11-14(4,13-7-8-13)10-12(3)6-2/h12-13,15H,5-11H2,1-4H3.
What are the key properties of 2-cyclopropyl-2,4-dimethyl-N-propylhexan-1-amine?
2-cyclopropyl-2,4-dimethyl-N-propylhexan-1-amine has a molecular weight of 211.39 g/mol, XLogP of 3.84, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2,4-dimethyl-N-propylhexan-1-amine is sourced from PubChem (CID 83160326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).