N-[1-(1-methylcyclopropyl)ethyl]-1-pyridin-4-ylethanamine

C13H20N2 — CID 43173471

IUPACN-[1-(1-methylcyclopropyl)ethyl]-1-pyridin-4-ylethanamine
SMILESCC(NC(C)C1(C)CC1)c1ccncc1
InChIInChI=1S/C13H20N2/c1-10(12-4-8-14-9-5-12)15-11(2)13(3)6-7-13/h4-5,8-11,15H,6-7H2,1-3H3
InChIKeyZNIZVMRIBVNRMH-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.92
Rot. Bonds4

About N-[1-(1-methylcyclopropyl)ethyl]-1-pyridin-4-ylethanamine

N-[1-(1-methylcyclopropyl)ethyl]-1-pyridin-4-ylethanamine (PubChem CID 43173471) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is N-[1-(1-methylcyclopropyl)ethyl]-1-pyridin-4-ylethanamine.

Molecular Properties

Compound NameN-[1-(1-methylcyclopropyl)ethyl]-1-pyridin-4-ylethanamine
PubChem CID43173471
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC NameN-[1-(1-methylcyclopropyl)ethyl]-1-pyridin-4-ylethanamine
SMILESCC(NC(C)C1(C)CC1)c1ccncc1
InChIInChI=1S/C13H20N2/c1-10(12-4-8-14-9-5-12)15-11(2)13(3)6-7-13/h4-5,8-11,15H,6-7H2,1-3H3
InChIKeyZNIZVMRIBVNRMH-UHFFFAOYSA-N
XLogP2.92
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylcyclopropyl)ethyl]-1-pyridin-4-ylethanamine?
The IUPAC name of N-[1-(1-methylcyclopropyl)ethyl]-1-pyridin-4-ylethanamine (CID 43173471) is N-[1-(1-methylcyclopropyl)ethyl]-1-pyridin-4-ylethanamine.
What is the SMILES notation for N-[1-(1-methylcyclopropyl)ethyl]-1-pyridin-4-ylethanamine?
The canonical SMILES for N-[1-(1-methylcyclopropyl)ethyl]-1-pyridin-4-ylethanamine is CC(NC(C)C1(C)CC1)c1ccncc1.
What is the InChIKey of N-[1-(1-methylcyclopropyl)ethyl]-1-pyridin-4-ylethanamine?
The InChIKey is ZNIZVMRIBVNRMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-10(12-4-8-14-9-5-12)15-11(2)13(3)6-7-13/h4-5,8-11,15H,6-7H2,1-3H3.
What are the key properties of N-[1-(1-methylcyclopropyl)ethyl]-1-pyridin-4-ylethanamine?
N-[1-(1-methylcyclopropyl)ethyl]-1-pyridin-4-ylethanamine has a molecular weight of 204.32 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylcyclopropyl)ethyl]-1-pyridin-4-ylethanamine is sourced from PubChem (CID 43173471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).