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

C15H31N — CID 115778397

IUPAC1-cyclopentyl-N-ethyl-3,4,4-trimethylpentan-1-amine
SMILESCCNC(CC(C)C(C)(C)C)C1CCCC1
InChIInChI=1S/C15H31N/c1-6-16-14(13-9-7-8-10-13)11-12(2)15(3,4)5/h12-14,16H,6-11H2,1-5H3
InChIKeyHIDSJWOKBDIMNQ-UHFFFAOYSA-N
MW225.42 g/mol
LogP4.23
Rot. Bonds5

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

1-cyclopentyl-N-ethyl-3,4,4-trimethylpentan-1-amine (PubChem CID 115778397) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is 1-cyclopentyl-N-ethyl-3,4,4-trimethylpentan-1-amine.

Molecular Properties

Compound Name1-cyclopentyl-N-ethyl-3,4,4-trimethylpentan-1-amine
PubChem CID115778397
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC Name1-cyclopentyl-N-ethyl-3,4,4-trimethylpentan-1-amine
SMILESCCNC(CC(C)C(C)(C)C)C1CCCC1
InChIInChI=1S/C15H31N/c1-6-16-14(13-9-7-8-10-13)11-12(2)15(3,4)5/h12-14,16H,6-11H2,1-5H3
InChIKeyHIDSJWOKBDIMNQ-UHFFFAOYSA-N
XLogP4.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.42
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclopropyl-N-ethyl-3,4,4-trimethylpentan-1-amine
CID 104994066
N-ethyl-3,4,4-trimethyl-1-(oxan-4-yl)pentan-1-amine
CID 115855755
1-cycloheptyl-N-ethyl-3,5,5-trimethylhexan-1-amine
CID 105027808
1-cycloheptyl-N-ethyl-3-methylpentan-1-amine
CID 65399965
1-cyclohexyl-N-ethylpropan-1-amine
CID 60817829
1-cyclohexyl-N'-(3,3-dimethylbutan-2-yl)-N-ethyl-N'-methylethane-1,2-diamine
CID 104745574
2-tert-butylsulfanyl-1-cyclopentyl-N-ethylethanamine
CID 65132569
1-cyclopentyl-N-ethyl-2-propan-2-yloxyethanamine
CID 79574827
1-cyclopentyl-N-ethyl-4,6-dimethylheptan-1-amine
CID 114200352
N-ethyl-2,2,5,6,6-pentamethylheptan-3-amine
CID 115854187
ethane;propan-2-ylcyclohexane;2,2,3-trimethylpentane
CID 143562850
1-cycloheptyl-2-cyclohexyl-N-ethylethanamine
CID 65399491

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-ethyl-3,4,4-trimethylpentan-1-amine?
The IUPAC name of 1-cyclopentyl-N-ethyl-3,4,4-trimethylpentan-1-amine (CID 115778397) is 1-cyclopentyl-N-ethyl-3,4,4-trimethylpentan-1-amine.
What is the SMILES notation for 1-cyclopentyl-N-ethyl-3,4,4-trimethylpentan-1-amine?
The canonical SMILES for 1-cyclopentyl-N-ethyl-3,4,4-trimethylpentan-1-amine is CCNC(CC(C)C(C)(C)C)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-N-ethyl-3,4,4-trimethylpentan-1-amine?
The InChIKey is HIDSJWOKBDIMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N/c1-6-16-14(13-9-7-8-10-13)11-12(2)15(3,4)5/h12-14,16H,6-11H2,1-5H3.
What are the key properties of 1-cyclopentyl-N-ethyl-3,4,4-trimethylpentan-1-amine?
1-cyclopentyl-N-ethyl-3,4,4-trimethylpentan-1-amine has a molecular weight of 225.42 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-ethyl-3,4,4-trimethylpentan-1-amine is sourced from PubChem (CID 115778397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).