1-[cyclohexyl(pyrrolidin-1-yl)methyl]cyclopropan-1-amine

C14H26N2 — CID 84735403

IUPAC1-[cyclohexyl(pyrrolidin-1-yl)methyl]cyclopropan-1-amine
SMILESNC1(C(C2CCCCC2)N2CCCC2)CC1
InChIInChI=1S/C14H26N2/c15-14(8-9-14)13(16-10-4-5-11-16)12-6-2-1-3-7-12/h12-13H,1-11,15H2
InChIKeyZKYTXJWKJRAJNH-UHFFFAOYSA-N
MW222.38 g/mol
LogP2.52
Rot. Bonds3

About 1-[cyclohexyl(pyrrolidin-1-yl)methyl]cyclopropan-1-amine

1-[cyclohexyl(pyrrolidin-1-yl)methyl]cyclopropan-1-amine (PubChem CID 84735403) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 1-[cyclohexyl(pyrrolidin-1-yl)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[cyclohexyl(pyrrolidin-1-yl)methyl]cyclopropan-1-amine
PubChem CID84735403
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name1-[cyclohexyl(pyrrolidin-1-yl)methyl]cyclopropan-1-amine
SMILESNC1(C(C2CCCCC2)N2CCCC2)CC1
InChIInChI=1S/C14H26N2/c15-14(8-9-14)13(16-10-4-5-11-16)12-6-2-1-3-7-12/h12-13H,1-11,15H2
InChIKeyZKYTXJWKJRAJNH-UHFFFAOYSA-N
XLogP2.52
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[cyclohexyl(pyrrolidin-1-yl)methyl]cyclopropan-1-amine?
The IUPAC name of 1-[cyclohexyl(pyrrolidin-1-yl)methyl]cyclopropan-1-amine (CID 84735403) is 1-[cyclohexyl(pyrrolidin-1-yl)methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[cyclohexyl(pyrrolidin-1-yl)methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[cyclohexyl(pyrrolidin-1-yl)methyl]cyclopropan-1-amine is NC1(C(C2CCCCC2)N2CCCC2)CC1.
What is the InChIKey of 1-[cyclohexyl(pyrrolidin-1-yl)methyl]cyclopropan-1-amine?
The InChIKey is ZKYTXJWKJRAJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c15-14(8-9-14)13(16-10-4-5-11-16)12-6-2-1-3-7-12/h12-13H,1-11,15H2.
What are the key properties of 1-[cyclohexyl(pyrrolidin-1-yl)methyl]cyclopropan-1-amine?
1-[cyclohexyl(pyrrolidin-1-yl)methyl]cyclopropan-1-amine has a molecular weight of 222.38 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclohexyl(pyrrolidin-1-yl)methyl]cyclopropan-1-amine is sourced from PubChem (CID 84735403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).