N-[(1R)-1-cyclobutylethyl]propan-1-amine;molecular hydrogen

C9H21N — CID 177368161

IUPACN-[(1R)-1-cyclobutylethyl]propan-1-amine;molecular hydrogen
SMILESCCCN[C@H](C)C1CCC1.[H][H]
InChIInChI=1S/C9H19N.H2/c1-3-7-10-8(2)9-5-4-6-9;/h8-10H,3-7H2,1-2H3;1H/t8-;/m1./s1
InChIKeyZETCDUWMSZLIHG-DDWIOCJRSA-N
MW143.27 g/mol
LogP2.42
Rot. Bonds4

About N-[(1R)-1-cyclobutylethyl]propan-1-amine;molecular hydrogen

N-[(1R)-1-cyclobutylethyl]propan-1-amine;molecular hydrogen (PubChem CID 177368161) has the molecular formula C9H21N and a molecular weight of 143.27 g/mol. Its IUPAC name is N-[(1R)-1-cyclobutylethyl]propan-1-amine;molecular hydrogen.

Molecular Properties

Compound NameN-[(1R)-1-cyclobutylethyl]propan-1-amine;molecular hydrogen
PubChem CID177368161
Molecular FormulaC9H21N
Molecular Weight143.27 g/mol
Exact Mass143.17
IUPAC NameN-[(1R)-1-cyclobutylethyl]propan-1-amine;molecular hydrogen
SMILESCCCN[C@H](C)C1CCC1.[H][H]
InChIInChI=1S/C9H19N.H2/c1-3-7-10-8(2)9-5-4-6-9;/h8-10H,3-7H2,1-2H3;1H/t8-;/m1./s1
InChIKeyZETCDUWMSZLIHG-DDWIOCJRSA-N
XLogP2.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.27
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1-cyclopentylethyl)propan-1-amine
CID 60819417
N-[(1R)-1-cyclopentylethyl]propan-1-amine
CID 81395735
N-[(1R)-1-cycloheptylethyl]propan-1-amine
CID 81393503
N-[1-(3-propan-2-ylcyclohexyl)ethyl]propan-1-amine
CID 107450581
N-[(1S)-1-cyclopentylethyl]decan-1-amine
CID 81396118
N-(1-cyclohexylethyl)decan-1-amine
CID 55195239
N-[(1S)-1-cyclohexylethyl]heptan-1-amine
CID 81387571
N-[(1R)-1-cyclohexylethyl]hexan-1-amine
CID 81384209
N-[1-(3,3-dimethylcyclohexyl)ethyl]propan-1-amine
CID 66437223
N-[cyclohexyl(cyclooctyl)methyl]propan-1-amine
CID 80609458
3-(1-cyclobutylethylamino)propan-1-ol
CID 115705210
1-cyclopentyl-N-ethylethanamine
CID 60819244

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyclobutylethyl]propan-1-amine;molecular hydrogen?
The IUPAC name of N-[(1R)-1-cyclobutylethyl]propan-1-amine;molecular hydrogen (CID 177368161) is N-[(1R)-1-cyclobutylethyl]propan-1-amine;molecular hydrogen.
What is the SMILES notation for N-[(1R)-1-cyclobutylethyl]propan-1-amine;molecular hydrogen?
The canonical SMILES for N-[(1R)-1-cyclobutylethyl]propan-1-amine;molecular hydrogen is CCCN[C@H](C)C1CCC1.[H][H].
What is the InChIKey of N-[(1R)-1-cyclobutylethyl]propan-1-amine;molecular hydrogen?
The InChIKey is ZETCDUWMSZLIHG-DDWIOCJRSA-N. The full InChI is InChI=1S/C9H19N.H2/c1-3-7-10-8(2)9-5-4-6-9;/h8-10H,3-7H2,1-2H3;1H/t8-;/m1./s1.
What are the key properties of N-[(1R)-1-cyclobutylethyl]propan-1-amine;molecular hydrogen?
N-[(1R)-1-cyclobutylethyl]propan-1-amine;molecular hydrogen has a molecular weight of 143.27 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyclobutylethyl]propan-1-amine;molecular hydrogen is sourced from PubChem (CID 177368161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).