1-[1-[(3-methylcyclohexyl)methyl]pyrrolidin-3-yl]ethanamine;hydrochloride

C14H29ClN2 — CID 120843314

IUPAC1-[1-[(3-methylcyclohexyl)methyl]pyrrolidin-3-yl]ethanamine;hydrochloride
SMILESCC1CCCC(CN2CCC(C(C)N)C2)C1.Cl
InChIInChI=1S/C14H28N2.ClH/c1-11-4-3-5-13(8-11)9-16-7-6-14(10-16)12(2)15;/h11-14H,3-10,15H2,1-2H3;1H
InChIKeyQFYJUQHHMNNFOF-UHFFFAOYSA-N
MW260.85 g/mol
LogP2.90
Rot. Bonds3

About 1-[1-[(3-methylcyclohexyl)methyl]pyrrolidin-3-yl]ethanamine;hydrochloride

1-[1-[(3-methylcyclohexyl)methyl]pyrrolidin-3-yl]ethanamine;hydrochloride (PubChem CID 120843314) has the molecular formula C14H29ClN2 and a molecular weight of 260.85 g/mol. Its IUPAC name is 1-[1-[(3-methylcyclohexyl)methyl]pyrrolidin-3-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name1-[1-[(3-methylcyclohexyl)methyl]pyrrolidin-3-yl]ethanamine;hydrochloride
PubChem CID120843314
Molecular FormulaC14H29ClN2
Molecular Weight260.85 g/mol
Exact Mass260.20
IUPAC Name1-[1-[(3-methylcyclohexyl)methyl]pyrrolidin-3-yl]ethanamine;hydrochloride
SMILESCC1CCCC(CN2CCC(C(C)N)C2)C1.Cl
InChIInChI=1S/C14H28N2.ClH/c1-11-4-3-5-13(8-11)9-16-7-6-14(10-16)12(2)15;/h11-14H,3-10,15H2,1-2H3;1H
InChIKeyQFYJUQHHMNNFOF-UHFFFAOYSA-N
XLogP2.90
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.85
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-methylcyclohexyl)methyl]pyrrolidin-3-yl]ethanamine;hydrochloride?
The IUPAC name of 1-[1-[(3-methylcyclohexyl)methyl]pyrrolidin-3-yl]ethanamine;hydrochloride (CID 120843314) is 1-[1-[(3-methylcyclohexyl)methyl]pyrrolidin-3-yl]ethanamine;hydrochloride.
What is the SMILES notation for 1-[1-[(3-methylcyclohexyl)methyl]pyrrolidin-3-yl]ethanamine;hydrochloride?
The canonical SMILES for 1-[1-[(3-methylcyclohexyl)methyl]pyrrolidin-3-yl]ethanamine;hydrochloride is CC1CCCC(CN2CCC(C(C)N)C2)C1.Cl.
What is the InChIKey of 1-[1-[(3-methylcyclohexyl)methyl]pyrrolidin-3-yl]ethanamine;hydrochloride?
The InChIKey is QFYJUQHHMNNFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2.ClH/c1-11-4-3-5-13(8-11)9-16-7-6-14(10-16)12(2)15;/h11-14H,3-10,15H2,1-2H3;1H.
What are the key properties of 1-[1-[(3-methylcyclohexyl)methyl]pyrrolidin-3-yl]ethanamine;hydrochloride?
1-[1-[(3-methylcyclohexyl)methyl]pyrrolidin-3-yl]ethanamine;hydrochloride has a molecular weight of 260.85 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3-methylcyclohexyl)methyl]pyrrolidin-3-yl]ethanamine;hydrochloride is sourced from PubChem (CID 120843314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).