N-(1-cyclopropylethyl)-4-(ethylaminomethyl)-N-(2-methoxyethyl)pyridin-3-amine

C16H27N3O — CID 105073489

IUPACN-(1-cyclopropylethyl)-4-(ethylaminomethyl)-N-(2-methoxyethyl)pyridin-3-amine
SMILESCCNCc1ccncc1N(CCOC)C(C)C1CC1
InChIInChI=1S/C16H27N3O/c1-4-17-11-15-7-8-18-12-16(15)19(9-10-20-3)13(2)14-5-6-14/h7-8,12-14,17H,4-6,9-11H2,1-3H3
InChIKeyDKWIGGZVUQSDMO-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.44
Rot. Bonds9

About N-(1-cyclopropylethyl)-4-(ethylaminomethyl)-N-(2-methoxyethyl)pyridin-3-amine

N-(1-cyclopropylethyl)-4-(ethylaminomethyl)-N-(2-methoxyethyl)pyridin-3-amine (PubChem CID 105073489) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-4-(ethylaminomethyl)-N-(2-methoxyethyl)pyridin-3-amine.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-4-(ethylaminomethyl)-N-(2-methoxyethyl)pyridin-3-amine
PubChem CID105073489
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-(1-cyclopropylethyl)-4-(ethylaminomethyl)-N-(2-methoxyethyl)pyridin-3-amine
SMILESCCNCc1ccncc1N(CCOC)C(C)C1CC1
InChIInChI=1S/C16H27N3O/c1-4-17-11-15-7-8-18-12-16(15)19(9-10-20-3)13(2)14-5-6-14/h7-8,12-14,17H,4-6,9-11H2,1-3H3
InChIKeyDKWIGGZVUQSDMO-UHFFFAOYSA-N
XLogP2.44
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-4-(ethylaminomethyl)-N-(2-methoxyethyl)pyridin-3-amine
CID 105073397
N-cyclopropyl-N-(2-methoxyethyl)-4-[(2-methylpropylamino)methyl]pyridin-3-amine
CID 105073396
N-cyclobutyl-4-(ethylaminomethyl)-N-methylpyridin-3-amine
CID 105074525
(1R)-1-[5-[1-cyclopropylethyl(2-methoxyethyl)amino]-2-pyridinyl]propan-1-ol
CID 103938600
4-(chloromethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)pyridin-3-amine
CID 105067390
N-ethyl-N-(1-methoxypropan-2-yl)-4-[(2-methylpropylamino)methyl]pyridin-3-amine
CID 105073191
4-(aminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylpyridin-3-amine
CID 82948054
4-(chloromethyl)-N-(2-methoxyethyl)-N-propan-2-ylpyridin-3-amine
CID 105067521
2-(ethylaminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylaniline
CID 82960379
4-(ethylaminomethyl)-N-methyl-N-(oxan-4-yl)pyridin-3-amine
CID 105073064
3-(ethylaminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine
CID 82952630
3-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-propan-2-ylpyridin-4-amine
CID 82953192

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-4-(ethylaminomethyl)-N-(2-methoxyethyl)pyridin-3-amine?
The IUPAC name of N-(1-cyclopropylethyl)-4-(ethylaminomethyl)-N-(2-methoxyethyl)pyridin-3-amine (CID 105073489) is N-(1-cyclopropylethyl)-4-(ethylaminomethyl)-N-(2-methoxyethyl)pyridin-3-amine.
What is the SMILES notation for N-(1-cyclopropylethyl)-4-(ethylaminomethyl)-N-(2-methoxyethyl)pyridin-3-amine?
The canonical SMILES for N-(1-cyclopropylethyl)-4-(ethylaminomethyl)-N-(2-methoxyethyl)pyridin-3-amine is CCNCc1ccncc1N(CCOC)C(C)C1CC1.
What is the InChIKey of N-(1-cyclopropylethyl)-4-(ethylaminomethyl)-N-(2-methoxyethyl)pyridin-3-amine?
The InChIKey is DKWIGGZVUQSDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-4-17-11-15-7-8-18-12-16(15)19(9-10-20-3)13(2)14-5-6-14/h7-8,12-14,17H,4-6,9-11H2,1-3H3.
What are the key properties of N-(1-cyclopropylethyl)-4-(ethylaminomethyl)-N-(2-methoxyethyl)pyridin-3-amine?
N-(1-cyclopropylethyl)-4-(ethylaminomethyl)-N-(2-methoxyethyl)pyridin-3-amine has a molecular weight of 277.41 g/mol, XLogP of 2.44, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-4-(ethylaminomethyl)-N-(2-methoxyethyl)pyridin-3-amine is sourced from PubChem (CID 105073489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).