2-cyclopropyl-N,4,4-trimethylpentan-1-amine

C11H23N — CID 83827155

IUPAC2-cyclopropyl-N,4,4-trimethylpentan-1-amine
SMILESCNCC(CC(C)(C)C)C1CC1
InChIInChI=1S/C11H23N/c1-11(2,3)7-10(8-12-4)9-5-6-9/h9-10,12H,5-8H2,1-4H3
InChIKeyJROUZRZUPIFMFJ-UHFFFAOYSA-N
MW169.31 g/mol
LogP2.67
Rot. Bonds4

About 2-cyclopropyl-N,4,4-trimethylpentan-1-amine

2-cyclopropyl-N,4,4-trimethylpentan-1-amine (PubChem CID 83827155) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is 2-cyclopropyl-N,4,4-trimethylpentan-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-N,4,4-trimethylpentan-1-amine
PubChem CID83827155
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name2-cyclopropyl-N,4,4-trimethylpentan-1-amine
SMILESCNCC(CC(C)(C)C)C1CC1
InChIInChI=1S/C11H23N/c1-11(2,3)7-10(8-12-4)9-5-6-9/h9-10,12H,5-8H2,1-4H3
InChIKeyJROUZRZUPIFMFJ-UHFFFAOYSA-N
XLogP2.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-4,4,4-trifluoro-N-methyl-2-(oxan-4-yl)butan-1-amine
CID 129494993
2-[(2S)-4,4-dimethyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide
CID 69468054
2-cycloheptyl-N-methylpentan-1-amine
CID 82932063
N,3,3-trimethyl-1-(4-methylcyclohexyl)butan-1-amine
CID 64776068
2-chloro-N,4,4-trimethylpentan-1-amine
CID 107155762
(2R)-4,4-dimethyl-2-piperidin-4-ylpentan-1-amine
CID 95241778
2-cyclohexyl-N-methylpent-4-en-1-amine
CID 77230357
2-cyclopentyl-N-methyldodecan-1-amine
CID 112569791
(3S,4R)-N,2,3,4,5,7,7-heptamethyloctan-1-amine
CID 162040885
4,4-dimethyl-2-(methylaminomethyl)pentan-1-ol
CID 117241786
N'-(dicyclopropylmethyl)-2-(2,2-dimethylpropyl)propane-1,3-diamine
CID 107473291
2-cyclopentyl-5-ethoxy-N-methylpentan-1-amine
CID 112569754

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N,4,4-trimethylpentan-1-amine?
The IUPAC name of 2-cyclopropyl-N,4,4-trimethylpentan-1-amine (CID 83827155) is 2-cyclopropyl-N,4,4-trimethylpentan-1-amine.
What is the SMILES notation for 2-cyclopropyl-N,4,4-trimethylpentan-1-amine?
The canonical SMILES for 2-cyclopropyl-N,4,4-trimethylpentan-1-amine is CNCC(CC(C)(C)C)C1CC1.
What is the InChIKey of 2-cyclopropyl-N,4,4-trimethylpentan-1-amine?
The InChIKey is JROUZRZUPIFMFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-11(2,3)7-10(8-12-4)9-5-6-9/h9-10,12H,5-8H2,1-4H3.
What are the key properties of 2-cyclopropyl-N,4,4-trimethylpentan-1-amine?
2-cyclopropyl-N,4,4-trimethylpentan-1-amine has a molecular weight of 169.31 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N,4,4-trimethylpentan-1-amine is sourced from PubChem (CID 83827155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).