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

C13H20N2 — CID 81405399

IUPAC(1R)-N-[1-(1-methylcyclopropyl)ethyl]-1-pyridin-4-ylethanamine
SMILESCC(N[C@H](C)c1ccncc1)C1(C)CC1
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/t10-,11?/m1/s1
InChIKeyZNIZVMRIBVNRMH-NFJWQWPMSA-N
MW204.32 g/mol
LogP2.92
Rot. Bonds4

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

(1R)-N-[1-(1-methylcyclopropyl)ethyl]-1-pyridin-4-ylethanamine (PubChem CID 81405399) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is (1R)-N-[1-(1-methylcyclopropyl)ethyl]-1-pyridin-4-ylethanamine.

Molecular Properties

Compound Name(1R)-N-[1-(1-methylcyclopropyl)ethyl]-1-pyridin-4-ylethanamine
PubChem CID81405399
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name(1R)-N-[1-(1-methylcyclopropyl)ethyl]-1-pyridin-4-ylethanamine
SMILESCC(N[C@H](C)c1ccncc1)C1(C)CC1
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/t10-,11?/m1/s1
InChIKeyZNIZVMRIBVNRMH-NFJWQWPMSA-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 (1R)-N-[1-(1-methylcyclopropyl)ethyl]-1-pyridin-4-ylethanamine?
The IUPAC name of (1R)-N-[1-(1-methylcyclopropyl)ethyl]-1-pyridin-4-ylethanamine (CID 81405399) is (1R)-N-[1-(1-methylcyclopropyl)ethyl]-1-pyridin-4-ylethanamine.
What is the SMILES notation for (1R)-N-[1-(1-methylcyclopropyl)ethyl]-1-pyridin-4-ylethanamine?
The canonical SMILES for (1R)-N-[1-(1-methylcyclopropyl)ethyl]-1-pyridin-4-ylethanamine is CC(N[C@H](C)c1ccncc1)C1(C)CC1.
What is the InChIKey of (1R)-N-[1-(1-methylcyclopropyl)ethyl]-1-pyridin-4-ylethanamine?
The InChIKey is ZNIZVMRIBVNRMH-NFJWQWPMSA-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/t10-,11?/m1/s1.
What are the key properties of (1R)-N-[1-(1-methylcyclopropyl)ethyl]-1-pyridin-4-ylethanamine?
(1R)-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 (1R)-N-[1-(1-methylcyclopropyl)ethyl]-1-pyridin-4-ylethanamine is sourced from PubChem (CID 81405399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).