N-(cyclopropylmethyl)-N-ethyl-4,6-dimethyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine

C18H31N3 — CID 63941047

IUPACN-(cyclopropylmethyl)-N-ethyl-4,6-dimethyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine
SMILESCCN(CC1CC1)c1nc(C)cc(C)c1CNCC(C)C
InChIInChI=1S/C18H31N3/c1-6-21(12-16-7-8-16)18-17(11-19-10-13(2)3)14(4)9-15(5)20-18/h9,13,16,19H,6-8,10-12H2,1-5H3
InChIKeyQMOJWDUQLCPPNV-UHFFFAOYSA-N
MW289.47 g/mol
LogP3.68
Rot. Bonds8

About N-(cyclopropylmethyl)-N-ethyl-4,6-dimethyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine

N-(cyclopropylmethyl)-N-ethyl-4,6-dimethyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine (PubChem CID 63941047) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-ethyl-4,6-dimethyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-ethyl-4,6-dimethyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine
PubChem CID63941047
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC NameN-(cyclopropylmethyl)-N-ethyl-4,6-dimethyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine
SMILESCCN(CC1CC1)c1nc(C)cc(C)c1CNCC(C)C
InChIInChI=1S/C18H31N3/c1-6-21(12-16-7-8-16)18-17(11-19-10-13(2)3)14(4)9-15(5)20-18/h9,13,16,19H,6-8,10-12H2,1-5H3
InChIKeyQMOJWDUQLCPPNV-UHFFFAOYSA-N
XLogP3.68
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(cyclopropylamino)methyl]-N-(cyclopropylmethyl)-N-ethyl-4,6-dimethylpyridin-2-amine
CID 63940645
N-cyclopropyl-N-ethyl-4,6-dimethyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62279375
N-ethyl-N-(2-methoxyethyl)-4,6-dimethyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62293749
N-(cyclopropylmethyl)-3-(ethylaminomethyl)-4,6-dimethyl-N-propylpyridin-2-amine
CID 62284109
N-(cyclopropylmethyl)-N-ethyl-3-methyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 80636161
N-ethyl-3-(ethylaminomethyl)-4,6-dimethyl-N-(2-methylpropyl)pyridin-2-amine
CID 62280772
N,4,6-trimethyl-3-[(2-methylpropylamino)methyl]-N-pentan-3-ylpyridin-2-amine
CID 63487572
3-(chloromethyl)-N-(cyclobutylmethyl)-N-ethyl-4,6-dimethylpyridin-2-amine
CID 107400692
N,4,6-trimethyl-N-(2-methylpropyl)-3-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62279387
N-(cyclopropylmethyl)-4,6-dimethyl-3-(methylaminomethyl)-N-propan-2-ylpyridin-2-amine
CID 62289059
N-(cyclobutylmethyl)-3-(ethylaminomethyl)-N,4,6-trimethylpyridin-2-amine
CID 62854383
N-(cyclopropylmethyl)-N-ethyl-2,6-difluoro-4-[(2-methylpropylamino)methyl]aniline
CID 63954399

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-ethyl-4,6-dimethyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine?
The IUPAC name of N-(cyclopropylmethyl)-N-ethyl-4,6-dimethyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine (CID 63941047) is N-(cyclopropylmethyl)-N-ethyl-4,6-dimethyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-N-ethyl-4,6-dimethyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine?
The canonical SMILES for N-(cyclopropylmethyl)-N-ethyl-4,6-dimethyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine is CCN(CC1CC1)c1nc(C)cc(C)c1CNCC(C)C.
What is the InChIKey of N-(cyclopropylmethyl)-N-ethyl-4,6-dimethyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine?
The InChIKey is QMOJWDUQLCPPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-6-21(12-16-7-8-16)18-17(11-19-10-13(2)3)14(4)9-15(5)20-18/h9,13,16,19H,6-8,10-12H2,1-5H3.
What are the key properties of N-(cyclopropylmethyl)-N-ethyl-4,6-dimethyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine?
N-(cyclopropylmethyl)-N-ethyl-4,6-dimethyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine has a molecular weight of 289.47 g/mol, XLogP of 3.68, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-ethyl-4,6-dimethyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine is sourced from PubChem (CID 63941047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).