N-methyl-N-[1-(1-methylpyrrolidin-3-yl)cyclopropyl]-1-propan-2-ylpiperidin-4-amine

C17H33N3 — CID 71178801

IUPACN-methyl-N-[1-(1-methylpyrrolidin-3-yl)cyclopropyl]-1-propan-2-ylpiperidin-4-amine
SMILESCC(C)N1CCC(N(C)C2(C3CCN(C)C3)CC2)CC1
InChIInChI=1S/C17H33N3/c1-14(2)20-11-6-16(7-12-20)19(4)17(8-9-17)15-5-10-18(3)13-15/h14-16H,5-13H2,1-4H3
InChIKeyHNPRACRPDZTDOI-UHFFFAOYSA-N
MW279.47 g/mol
LogP2.28
Rot. Bonds4

About N-methyl-N-[1-(1-methylpyrrolidin-3-yl)cyclopropyl]-1-propan-2-ylpiperidin-4-amine

N-methyl-N-[1-(1-methylpyrrolidin-3-yl)cyclopropyl]-1-propan-2-ylpiperidin-4-amine (PubChem CID 71178801) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is N-methyl-N-[1-(1-methylpyrrolidin-3-yl)cyclopropyl]-1-propan-2-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-methyl-N-[1-(1-methylpyrrolidin-3-yl)cyclopropyl]-1-propan-2-ylpiperidin-4-amine
PubChem CID71178801
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC NameN-methyl-N-[1-(1-methylpyrrolidin-3-yl)cyclopropyl]-1-propan-2-ylpiperidin-4-amine
SMILESCC(C)N1CCC(N(C)C2(C3CCN(C)C3)CC2)CC1
InChIInChI=1S/C17H33N3/c1-14(2)20-11-6-16(7-12-20)19(4)17(8-9-17)15-5-10-18(3)13-15/h14-16H,5-13H2,1-4H3
InChIKeyHNPRACRPDZTDOI-UHFFFAOYSA-N
XLogP2.28
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-(1-methylpyrrolidin-3-yl)cyclopropyl]-1-propan-2-ylpiperidin-4-amine?
The IUPAC name of N-methyl-N-[1-(1-methylpyrrolidin-3-yl)cyclopropyl]-1-propan-2-ylpiperidin-4-amine (CID 71178801) is N-methyl-N-[1-(1-methylpyrrolidin-3-yl)cyclopropyl]-1-propan-2-ylpiperidin-4-amine.
What is the SMILES notation for N-methyl-N-[1-(1-methylpyrrolidin-3-yl)cyclopropyl]-1-propan-2-ylpiperidin-4-amine?
The canonical SMILES for N-methyl-N-[1-(1-methylpyrrolidin-3-yl)cyclopropyl]-1-propan-2-ylpiperidin-4-amine is CC(C)N1CCC(N(C)C2(C3CCN(C)C3)CC2)CC1.
What is the InChIKey of N-methyl-N-[1-(1-methylpyrrolidin-3-yl)cyclopropyl]-1-propan-2-ylpiperidin-4-amine?
The InChIKey is HNPRACRPDZTDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3/c1-14(2)20-11-6-16(7-12-20)19(4)17(8-9-17)15-5-10-18(3)13-15/h14-16H,5-13H2,1-4H3.
What are the key properties of N-methyl-N-[1-(1-methylpyrrolidin-3-yl)cyclopropyl]-1-propan-2-ylpiperidin-4-amine?
N-methyl-N-[1-(1-methylpyrrolidin-3-yl)cyclopropyl]-1-propan-2-ylpiperidin-4-amine has a molecular weight of 279.47 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-(1-methylpyrrolidin-3-yl)cyclopropyl]-1-propan-2-ylpiperidin-4-amine is sourced from PubChem (CID 71178801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).