N-[(1-propoxycyclopentyl)methyl]propan-2-amine

C12H25NO — CID 62107292

IUPACN-[(1-propoxycyclopentyl)methyl]propan-2-amine
SMILESCCCOC1(CNC(C)C)CCCC1
InChIInChI=1S/C12H25NO/c1-4-9-14-12(7-5-6-8-12)10-13-11(2)3/h11,13H,4-10H2,1-3H3
InChIKeyLRBPARCJQBMTOR-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.72
Rot. Bonds6

About N-[(1-propoxycyclopentyl)methyl]propan-2-amine

N-[(1-propoxycyclopentyl)methyl]propan-2-amine (PubChem CID 62107292) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is N-[(1-propoxycyclopentyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(1-propoxycyclopentyl)methyl]propan-2-amine
PubChem CID62107292
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC NameN-[(1-propoxycyclopentyl)methyl]propan-2-amine
SMILESCCCOC1(CNC(C)C)CCCC1
InChIInChI=1S/C12H25NO/c1-4-9-14-12(7-5-6-8-12)10-13-11(2)3/h11,13H,4-10H2,1-3H3
InChIKeyLRBPARCJQBMTOR-UHFFFAOYSA-N
XLogP2.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(2-propoxyethoxy)cyclohexyl]methyl]propan-2-amine
CID 63686546
N-[[1-(3-methoxypropoxy)cyclohexyl]methyl]propan-2-amine
CID 62106094
2-methyl-N-[(1-propoxycyclopentyl)methyl]propan-2-amine
CID 62107466
N-[[1-(2-propoxyethoxy)-4-propylcyclohexyl]methyl]propan-2-amine
CID 63686920
N-[[1-(2,2-difluoroethoxy)cyclohexyl]methyl]propan-2-amine
CID 82006256
N-[(1-propoxycyclopentyl)methyl]cyclopropanamine
CID 62107293
N-[(1-propan-2-yloxycyclohexyl)methyl]propan-2-amine
CID 62107127
N-[(1-butan-2-yloxycycloheptyl)methyl]propan-2-amine
CID 62106260
N-[[1-(2-propoxyethyl)cyclobutyl]methyl]propan-2-amine
CID 106456993
N-[[1-(2-methoxyethoxy)-4-methylcyclohexyl]methyl]propan-2-amine
CID 62106730
N-methyl-1-[1-(2-propoxyethoxy)cyclohexyl]methanamine
CID 63685434
(1-propoxycyclobutyl)methanol
CID 151153124

Frequently Asked Questions

What is the IUPAC name of N-[(1-propoxycyclopentyl)methyl]propan-2-amine?
The IUPAC name of N-[(1-propoxycyclopentyl)methyl]propan-2-amine (CID 62107292) is N-[(1-propoxycyclopentyl)methyl]propan-2-amine.
What is the SMILES notation for N-[(1-propoxycyclopentyl)methyl]propan-2-amine?
The canonical SMILES for N-[(1-propoxycyclopentyl)methyl]propan-2-amine is CCCOC1(CNC(C)C)CCCC1.
What is the InChIKey of N-[(1-propoxycyclopentyl)methyl]propan-2-amine?
The InChIKey is LRBPARCJQBMTOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-4-9-14-12(7-5-6-8-12)10-13-11(2)3/h11,13H,4-10H2,1-3H3.
What are the key properties of N-[(1-propoxycyclopentyl)methyl]propan-2-amine?
N-[(1-propoxycyclopentyl)methyl]propan-2-amine has a molecular weight of 199.34 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propoxycyclopentyl)methyl]propan-2-amine is sourced from PubChem (CID 62107292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).