N-[3-(cyclopropylmethoxy)propyl]-2-pyrrolidin-2-ylcyclohexan-1-amine

C17H32N2O — CID 79546596

IUPACN-[3-(cyclopropylmethoxy)propyl]-2-pyrrolidin-2-ylcyclohexan-1-amine
SMILESC(CNC1CCCCC1C1CCCN1)COCC1CC1
InChIInChI=1S/C17H32N2O/c1-2-6-16(15(5-1)17-7-3-10-18-17)19-11-4-12-20-13-14-8-9-14/h14-19H,1-13H2
InChIKeySQQYTSBIIMTRCG-UHFFFAOYSA-N
MW280.46 g/mol
LogP2.70
Rot. Bonds8

About N-[3-(cyclopropylmethoxy)propyl]-2-pyrrolidin-2-ylcyclohexan-1-amine

N-[3-(cyclopropylmethoxy)propyl]-2-pyrrolidin-2-ylcyclohexan-1-amine (PubChem CID 79546596) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is N-[3-(cyclopropylmethoxy)propyl]-2-pyrrolidin-2-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[3-(cyclopropylmethoxy)propyl]-2-pyrrolidin-2-ylcyclohexan-1-amine
PubChem CID79546596
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC NameN-[3-(cyclopropylmethoxy)propyl]-2-pyrrolidin-2-ylcyclohexan-1-amine
SMILESC(CNC1CCCCC1C1CCCN1)COCC1CC1
InChIInChI=1S/C17H32N2O/c1-2-6-16(15(5-1)17-7-3-10-18-17)19-11-4-12-20-13-14-8-9-14/h14-19H,1-13H2
InChIKeySQQYTSBIIMTRCG-UHFFFAOYSA-N
XLogP2.70
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylmethoxy)propyl]-2-pyrrolidin-2-ylcyclohexan-1-amine?
The IUPAC name of N-[3-(cyclopropylmethoxy)propyl]-2-pyrrolidin-2-ylcyclohexan-1-amine (CID 79546596) is N-[3-(cyclopropylmethoxy)propyl]-2-pyrrolidin-2-ylcyclohexan-1-amine.
What is the SMILES notation for N-[3-(cyclopropylmethoxy)propyl]-2-pyrrolidin-2-ylcyclohexan-1-amine?
The canonical SMILES for N-[3-(cyclopropylmethoxy)propyl]-2-pyrrolidin-2-ylcyclohexan-1-amine is C(CNC1CCCCC1C1CCCN1)COCC1CC1.
What is the InChIKey of N-[3-(cyclopropylmethoxy)propyl]-2-pyrrolidin-2-ylcyclohexan-1-amine?
The InChIKey is SQQYTSBIIMTRCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-2-6-16(15(5-1)17-7-3-10-18-17)19-11-4-12-20-13-14-8-9-14/h14-19H,1-13H2.
What are the key properties of N-[3-(cyclopropylmethoxy)propyl]-2-pyrrolidin-2-ylcyclohexan-1-amine?
N-[3-(cyclopropylmethoxy)propyl]-2-pyrrolidin-2-ylcyclohexan-1-amine has a molecular weight of 280.46 g/mol, XLogP of 2.70, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylmethoxy)propyl]-2-pyrrolidin-2-ylcyclohexan-1-amine is sourced from PubChem (CID 79546596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).