N-(cyclopropylmethyl)-N-ethyl-2-[(2-methylpropylamino)methyl]pyridin-4-amine

C16H27N3 — CID 63940070

IUPACN-(cyclopropylmethyl)-N-ethyl-2-[(2-methylpropylamino)methyl]pyridin-4-amine
SMILESCCN(CC1CC1)c1ccnc(CNCC(C)C)c1
InChIInChI=1S/C16H27N3/c1-4-19(12-14-5-6-14)16-7-8-18-15(9-16)11-17-10-13(2)3/h7-9,13-14,17H,4-6,10-12H2,1-3H3
InChIKeyMVKAFQADJHACPJ-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.06
Rot. Bonds8

About N-(cyclopropylmethyl)-N-ethyl-2-[(2-methylpropylamino)methyl]pyridin-4-amine

N-(cyclopropylmethyl)-N-ethyl-2-[(2-methylpropylamino)methyl]pyridin-4-amine (PubChem CID 63940070) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-ethyl-2-[(2-methylpropylamino)methyl]pyridin-4-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-ethyl-2-[(2-methylpropylamino)methyl]pyridin-4-amine
PubChem CID63940070
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC NameN-(cyclopropylmethyl)-N-ethyl-2-[(2-methylpropylamino)methyl]pyridin-4-amine
SMILESCCN(CC1CC1)c1ccnc(CNCC(C)C)c1
InChIInChI=1S/C16H27N3/c1-4-19(12-14-5-6-14)16-7-8-18-15(9-16)11-17-10-13(2)3/h7-9,13-14,17H,4-6,10-12H2,1-3H3
InChIKeyMVKAFQADJHACPJ-UHFFFAOYSA-N
XLogP3.06
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopropylmethyl)-N-ethyl-2,6-difluoro-4-[(2-methylpropylamino)methyl]aniline
CID 63954399
N-methyl-N-(2-methylcyclohexyl)-2-[(2-methylpropylamino)methyl]pyridin-4-amine
CID 62287919
N-ethyl-N-(2-methylpropyl)-2-(propylaminomethyl)pyridin-4-amine
CID 55055011
N-methyl-N-(3-methylbutan-2-yl)-2-[(2-methylpropylamino)methyl]pyridin-4-amine
CID 62284127
N-cyclopropyl-N-(cyclopropylmethyl)-2-(ethylaminomethyl)pyridin-4-amine
CID 64520480
N-(cyclopropylmethyl)-N-methyl-2-(propylaminomethyl)pyridin-4-amine
CID 55059107
2-(ethylaminomethyl)-N,N-bis(2-methylpropyl)pyridin-4-amine
CID 62284205
N-methyl-2-[(2-methylpropylamino)methyl]-N-phenylpyridin-4-amine
CID 62284741
N-(cyclopropylmethyl)-N-ethyl-3-methyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 80636161
N-(2,2-dimethylpropyl)-N-methyl-2-[(2-methylpropylamino)methyl]pyridin-4-amine
CID 62289015
N-cyclopropyl-N-(cyclopropylmethyl)-2-(propylaminomethyl)pyridin-4-amine
CID 64520477
N-(cyclopentylmethyl)-2-(ethylaminomethyl)-N-methylpyridin-4-amine
CID 63655101

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-ethyl-2-[(2-methylpropylamino)methyl]pyridin-4-amine?
The IUPAC name of N-(cyclopropylmethyl)-N-ethyl-2-[(2-methylpropylamino)methyl]pyridin-4-amine (CID 63940070) is N-(cyclopropylmethyl)-N-ethyl-2-[(2-methylpropylamino)methyl]pyridin-4-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-N-ethyl-2-[(2-methylpropylamino)methyl]pyridin-4-amine?
The canonical SMILES for N-(cyclopropylmethyl)-N-ethyl-2-[(2-methylpropylamino)methyl]pyridin-4-amine is CCN(CC1CC1)c1ccnc(CNCC(C)C)c1.
What is the InChIKey of N-(cyclopropylmethyl)-N-ethyl-2-[(2-methylpropylamino)methyl]pyridin-4-amine?
The InChIKey is MVKAFQADJHACPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-4-19(12-14-5-6-14)16-7-8-18-15(9-16)11-17-10-13(2)3/h7-9,13-14,17H,4-6,10-12H2,1-3H3.
What are the key properties of N-(cyclopropylmethyl)-N-ethyl-2-[(2-methylpropylamino)methyl]pyridin-4-amine?
N-(cyclopropylmethyl)-N-ethyl-2-[(2-methylpropylamino)methyl]pyridin-4-amine has a molecular weight of 261.41 g/mol, XLogP of 3.06, 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-2-[(2-methylpropylamino)methyl]pyridin-4-amine is sourced from PubChem (CID 63940070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).