N-(cyclopropylmethyl)-4,6-dimethyl-3-(methylaminomethyl)-N-propan-2-ylpyridin-2-amine

C16H27N3 — CID 62289059

IUPACN-(cyclopropylmethyl)-4,6-dimethyl-3-(methylaminomethyl)-N-propan-2-ylpyridin-2-amine
SMILESCNCc1c(C)cc(C)nc1N(CC1CC1)C(C)C
InChIInChI=1S/C16H27N3/c1-11(2)19(10-14-6-7-14)16-15(9-17-5)12(3)8-13(4)18-16/h8,11,14,17H,6-7,9-10H2,1-5H3
InChIKeyOOFTYEBUAWEHIT-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.04
Rot. Bonds6

About N-(cyclopropylmethyl)-4,6-dimethyl-3-(methylaminomethyl)-N-propan-2-ylpyridin-2-amine

N-(cyclopropylmethyl)-4,6-dimethyl-3-(methylaminomethyl)-N-propan-2-ylpyridin-2-amine (PubChem CID 62289059) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-4,6-dimethyl-3-(methylaminomethyl)-N-propan-2-ylpyridin-2-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-4,6-dimethyl-3-(methylaminomethyl)-N-propan-2-ylpyridin-2-amine
PubChem CID62289059
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC NameN-(cyclopropylmethyl)-4,6-dimethyl-3-(methylaminomethyl)-N-propan-2-ylpyridin-2-amine
SMILESCNCc1c(C)cc(C)nc1N(CC1CC1)C(C)C
InChIInChI=1S/C16H27N3/c1-11(2)19(10-14-6-7-14)16-15(9-17-5)12(3)8-13(4)18-16/h8,11,14,17H,6-7,9-10H2,1-5H3
InChIKeyOOFTYEBUAWEHIT-UHFFFAOYSA-N
XLogP3.04
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-4,6-dimethyl-3-(methylaminomethyl)-N-propan-2-ylpyridin-2-amine?
The IUPAC name of N-(cyclopropylmethyl)-4,6-dimethyl-3-(methylaminomethyl)-N-propan-2-ylpyridin-2-amine (CID 62289059) is N-(cyclopropylmethyl)-4,6-dimethyl-3-(methylaminomethyl)-N-propan-2-ylpyridin-2-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-4,6-dimethyl-3-(methylaminomethyl)-N-propan-2-ylpyridin-2-amine?
The canonical SMILES for N-(cyclopropylmethyl)-4,6-dimethyl-3-(methylaminomethyl)-N-propan-2-ylpyridin-2-amine is CNCc1c(C)cc(C)nc1N(CC1CC1)C(C)C.
What is the InChIKey of N-(cyclopropylmethyl)-4,6-dimethyl-3-(methylaminomethyl)-N-propan-2-ylpyridin-2-amine?
The InChIKey is OOFTYEBUAWEHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-11(2)19(10-14-6-7-14)16-15(9-17-5)12(3)8-13(4)18-16/h8,11,14,17H,6-7,9-10H2,1-5H3.
What are the key properties of N-(cyclopropylmethyl)-4,6-dimethyl-3-(methylaminomethyl)-N-propan-2-ylpyridin-2-amine?
N-(cyclopropylmethyl)-4,6-dimethyl-3-(methylaminomethyl)-N-propan-2-ylpyridin-2-amine has a molecular weight of 261.41 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-4,6-dimethyl-3-(methylaminomethyl)-N-propan-2-ylpyridin-2-amine is sourced from PubChem (CID 62289059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).