N-[cyclopropyl-(1-methoxycyclopentyl)methyl]propan-1-amine

C13H25NO — CID 104611352

IUPACN-[cyclopropyl-(1-methoxycyclopentyl)methyl]propan-1-amine
SMILESCCCNC(C1CC1)C1(OC)CCCC1
InChIInChI=1S/C13H25NO/c1-3-10-14-12(11-6-7-11)13(15-2)8-4-5-9-13/h11-12,14H,3-10H2,1-2H3
InChIKeyGDQPEUOCSXSVSS-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.72
Rot. Bonds6

About N-[cyclopropyl-(1-methoxycyclopentyl)methyl]propan-1-amine

N-[cyclopropyl-(1-methoxycyclopentyl)methyl]propan-1-amine (PubChem CID 104611352) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is N-[cyclopropyl-(1-methoxycyclopentyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[cyclopropyl-(1-methoxycyclopentyl)methyl]propan-1-amine
PubChem CID104611352
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC NameN-[cyclopropyl-(1-methoxycyclopentyl)methyl]propan-1-amine
SMILESCCCNC(C1CC1)C1(OC)CCCC1
InChIInChI=1S/C13H25NO/c1-3-10-14-12(11-6-7-11)13(15-2)8-4-5-9-13/h11-12,14H,3-10H2,1-2H3
InChIKeyGDQPEUOCSXSVSS-UHFFFAOYSA-N
XLogP2.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(1-methoxycyclopentyl)methyl]propan-1-amine?
The IUPAC name of N-[cyclopropyl-(1-methoxycyclopentyl)methyl]propan-1-amine (CID 104611352) is N-[cyclopropyl-(1-methoxycyclopentyl)methyl]propan-1-amine.
What is the SMILES notation for N-[cyclopropyl-(1-methoxycyclopentyl)methyl]propan-1-amine?
The canonical SMILES for N-[cyclopropyl-(1-methoxycyclopentyl)methyl]propan-1-amine is CCCNC(C1CC1)C1(OC)CCCC1.
What is the InChIKey of N-[cyclopropyl-(1-methoxycyclopentyl)methyl]propan-1-amine?
The InChIKey is GDQPEUOCSXSVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-3-10-14-12(11-6-7-11)13(15-2)8-4-5-9-13/h11-12,14H,3-10H2,1-2H3.
What are the key properties of N-[cyclopropyl-(1-methoxycyclopentyl)methyl]propan-1-amine?
N-[cyclopropyl-(1-methoxycyclopentyl)methyl]propan-1-amine has a molecular weight of 211.35 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-[cyclopropyl-(1-methoxycyclopentyl)methyl]propan-1-amine is sourced from PubChem (CID 104611352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).