3-[2-[(2S)-pentan-2-yl]cyclopropyl]propan-1-amine

C11H23N — CID 139513518

IUPAC3-[2-[(2S)-pentan-2-yl]cyclopropyl]propan-1-amine
SMILESCCC[C@H](C)C1CC1CCCN
InChIInChI=1S/C11H23N/c1-3-5-9(2)11-8-10(11)6-4-7-12/h9-11H,3-8,12H2,1-2H3/t9-,10?,11?/m0/s1
InChIKeyFBDKXERDPAUWPP-WHXUTIOJSA-N
MW169.31 g/mol
LogP2.80
Rot. Bonds6

About 3-[2-[(2S)-pentan-2-yl]cyclopropyl]propan-1-amine

3-[2-[(2S)-pentan-2-yl]cyclopropyl]propan-1-amine (PubChem CID 139513518) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is 3-[2-[(2S)-pentan-2-yl]cyclopropyl]propan-1-amine.

Molecular Properties

Compound Name3-[2-[(2S)-pentan-2-yl]cyclopropyl]propan-1-amine
PubChem CID139513518
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name3-[2-[(2S)-pentan-2-yl]cyclopropyl]propan-1-amine
SMILESCCC[C@H](C)C1CC1CCCN
InChIInChI=1S/C11H23N/c1-3-5-9(2)11-8-10(11)6-4-7-12/h9-11H,3-8,12H2,1-2H3/t9-,10?,11?/m0/s1
InChIKeyFBDKXERDPAUWPP-WHXUTIOJSA-N
XLogP2.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-butyl-2-pentan-2-ylcyclopropane
CID 90836008
1,2-di(pentan-2-yl)cyclopropane
CID 123763474
1-ethyl-2-nonan-2-ylcyclopropane
CID 123964320
1-ethyl-2-[(2-pentan-2-ylcyclopropyl)methyl]cyclopropane
CID 123666565
(2-pentan-2-yl-4-propylcyclohexyl)methanamine
CID 107889298
(4-methyl-2-pentan-2-ylcyclohexyl)methanamine
CID 107889294
1-(4,4-dimethylpentan-2-yl)-2-pentylcyclopropane
CID 91373966
1-ethyl-2-pentan-2-yl-3-pentylcyclobutane
CID 123411322
2-(2-butan-2-ylcyclopropyl)ethanol
CID 123287360
1-nonan-3-yl-2-pentylcyclopropane
CID 20771222
1-ethyl-3-methyl-4-pentan-2-yl-2-propan-2-ylcyclopentane
CID 91297602
3-(2-propan-2-ylcyclohexyl)propan-1-amine
CID 84732620

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2S)-pentan-2-yl]cyclopropyl]propan-1-amine?
The IUPAC name of 3-[2-[(2S)-pentan-2-yl]cyclopropyl]propan-1-amine (CID 139513518) is 3-[2-[(2S)-pentan-2-yl]cyclopropyl]propan-1-amine.
What is the SMILES notation for 3-[2-[(2S)-pentan-2-yl]cyclopropyl]propan-1-amine?
The canonical SMILES for 3-[2-[(2S)-pentan-2-yl]cyclopropyl]propan-1-amine is CCC[C@H](C)C1CC1CCCN.
What is the InChIKey of 3-[2-[(2S)-pentan-2-yl]cyclopropyl]propan-1-amine?
The InChIKey is FBDKXERDPAUWPP-WHXUTIOJSA-N. The full InChI is InChI=1S/C11H23N/c1-3-5-9(2)11-8-10(11)6-4-7-12/h9-11H,3-8,12H2,1-2H3/t9-,10?,11?/m0/s1.
What are the key properties of 3-[2-[(2S)-pentan-2-yl]cyclopropyl]propan-1-amine?
3-[2-[(2S)-pentan-2-yl]cyclopropyl]propan-1-amine has a molecular weight of 169.31 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2S)-pentan-2-yl]cyclopropyl]propan-1-amine is sourced from PubChem (CID 139513518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).