1-cyclopropyl-N-ethyl-3,4,4-trimethylpentan-1-amine

C13H27N — CID 104994066

IUPAC1-cyclopropyl-N-ethyl-3,4,4-trimethylpentan-1-amine
SMILESCCNC(CC(C)C(C)(C)C)C1CC1
InChIInChI=1S/C13H27N/c1-6-14-12(11-7-8-11)9-10(2)13(3,4)5/h10-12,14H,6-9H2,1-5H3
InChIKeyPJKJPDBUZLHAMN-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.45
Rot. Bonds5

About 1-cyclopropyl-N-ethyl-3,4,4-trimethylpentan-1-amine

1-cyclopropyl-N-ethyl-3,4,4-trimethylpentan-1-amine (PubChem CID 104994066) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 1-cyclopropyl-N-ethyl-3,4,4-trimethylpentan-1-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-ethyl-3,4,4-trimethylpentan-1-amine
PubChem CID104994066
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name1-cyclopropyl-N-ethyl-3,4,4-trimethylpentan-1-amine
SMILESCCNC(CC(C)C(C)(C)C)C1CC1
InChIInChI=1S/C13H27N/c1-6-14-12(11-7-8-11)9-10(2)13(3,4)5/h10-12,14H,6-9H2,1-5H3
InChIKeyPJKJPDBUZLHAMN-UHFFFAOYSA-N
XLogP3.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclopentyl-N-ethyl-3,4,4-trimethylpentan-1-amine
CID 115778397
N-ethyl-3,4,4-trimethyl-1-(oxan-4-yl)pentan-1-amine
CID 115855755
N-ethyl-2,2,5,6,6-pentamethylheptan-3-amine
CID 115854187
N-ethyl-1-(4-ethylcyclohexyl)-3-methylbutan-1-amine
CID 64776246
1-cycloheptyl-N-ethyl-3,5,5-trimethylhexan-1-amine
CID 105027808
1-cyclopropyl-N-ethyl-4-methoxy-3-methylbutan-1-amine
CID 105157171
1-cycloheptyl-N-ethyl-3-methylpentan-1-amine
CID 65399965
3,4,4-trimethyl-1-(oxan-3-yl)-N-propylpentan-1-amine
CID 107139233
N-ethyl-2,5,6,6-tetramethylheptan-3-amine
CID 114978235
1-cyclohexyl-N'-(3,3-dimethylbutan-2-yl)-N-ethyl-N'-methylethane-1,2-diamine
CID 104745574
1-(4-butylcyclohexyl)-N-ethyl-3-methylpentan-1-amine
CID 115846127
1-cyclohexyl-N-ethylpropan-1-amine
CID 60817829

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-ethyl-3,4,4-trimethylpentan-1-amine?
The IUPAC name of 1-cyclopropyl-N-ethyl-3,4,4-trimethylpentan-1-amine (CID 104994066) is 1-cyclopropyl-N-ethyl-3,4,4-trimethylpentan-1-amine.
What is the SMILES notation for 1-cyclopropyl-N-ethyl-3,4,4-trimethylpentan-1-amine?
The canonical SMILES for 1-cyclopropyl-N-ethyl-3,4,4-trimethylpentan-1-amine is CCNC(CC(C)C(C)(C)C)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-ethyl-3,4,4-trimethylpentan-1-amine?
The InChIKey is PJKJPDBUZLHAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-6-14-12(11-7-8-11)9-10(2)13(3,4)5/h10-12,14H,6-9H2,1-5H3.
What are the key properties of 1-cyclopropyl-N-ethyl-3,4,4-trimethylpentan-1-amine?
1-cyclopropyl-N-ethyl-3,4,4-trimethylpentan-1-amine has a molecular weight of 197.37 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-ethyl-3,4,4-trimethylpentan-1-amine is sourced from PubChem (CID 104994066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).