N-cyclopropyl-N-(2-methoxyethyl)-4-[(2-methylpropylamino)methyl]pyridin-3-amine

C16H27N3O — CID 105073396

IUPACN-cyclopropyl-N-(2-methoxyethyl)-4-[(2-methylpropylamino)methyl]pyridin-3-amine
SMILESCOCCN(c1cnccc1CNCC(C)C)C1CC1
InChIInChI=1S/C16H27N3O/c1-13(2)10-18-11-14-6-7-17-12-16(14)19(8-9-20-3)15-4-5-15/h6-7,12-13,15,18H,4-5,8-11H2,1-3H3
InChIKeyQBSBSVMSEVXOPY-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.44
Rot. Bonds9

About N-cyclopropyl-N-(2-methoxyethyl)-4-[(2-methylpropylamino)methyl]pyridin-3-amine

N-cyclopropyl-N-(2-methoxyethyl)-4-[(2-methylpropylamino)methyl]pyridin-3-amine (PubChem CID 105073396) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-cyclopropyl-N-(2-methoxyethyl)-4-[(2-methylpropylamino)methyl]pyridin-3-amine.

Molecular Properties

Compound NameN-cyclopropyl-N-(2-methoxyethyl)-4-[(2-methylpropylamino)methyl]pyridin-3-amine
PubChem CID105073396
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-cyclopropyl-N-(2-methoxyethyl)-4-[(2-methylpropylamino)methyl]pyridin-3-amine
SMILESCOCCN(c1cnccc1CNCC(C)C)C1CC1
InChIInChI=1S/C16H27N3O/c1-13(2)10-18-11-14-6-7-17-12-16(14)19(8-9-20-3)15-4-5-15/h6-7,12-13,15,18H,4-5,8-11H2,1-3H3
InChIKeyQBSBSVMSEVXOPY-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)-5-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62295141
N-ethyl-N-(1-methoxypropan-2-yl)-4-[(2-methylpropylamino)methyl]pyridin-3-amine
CID 105073191
N-methyl-N-(2-methylcyclohexyl)-4-[(2-methylpropylamino)methyl]pyridin-3-amine
CID 105073520
N-cyclopropyl-N-(2-methoxyethyl)-6-[(2-methylpropylamino)methyl]pyridazin-3-amine
CID 62292853
N-(1-cyclopropylethyl)-4-(ethylaminomethyl)-N-(2-methoxyethyl)pyridin-3-amine
CID 105073489
N-methyl-N-(3-methylphenyl)-4-[(2-methylpropylamino)methyl]pyridin-3-amine
CID 105073335
4-(chloromethyl)-N-cyclopropyl-N-(2-methylpropyl)pyridin-3-amine
CID 105067384
N-butan-2-yl-N-butyl-4-[(2-methylpropylamino)methyl]pyridin-3-amine
CID 105073725
N-methyl-4-[(2-methylpropylamino)methyl]-N-(2-pyrrolidin-1-ylethyl)pyridin-3-amine
CID 105073871
N-cyclopropyl-N-(2-methoxyethyl)-2-methyl-5-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 81246152
N-cyclopropyl-N-(cyclopropylmethyl)-4-(methylaminomethyl)pyridin-3-amine
CID 105074049

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(2-methoxyethyl)-4-[(2-methylpropylamino)methyl]pyridin-3-amine?
The IUPAC name of N-cyclopropyl-N-(2-methoxyethyl)-4-[(2-methylpropylamino)methyl]pyridin-3-amine (CID 105073396) is N-cyclopropyl-N-(2-methoxyethyl)-4-[(2-methylpropylamino)methyl]pyridin-3-amine.
What is the SMILES notation for N-cyclopropyl-N-(2-methoxyethyl)-4-[(2-methylpropylamino)methyl]pyridin-3-amine?
The canonical SMILES for N-cyclopropyl-N-(2-methoxyethyl)-4-[(2-methylpropylamino)methyl]pyridin-3-amine is COCCN(c1cnccc1CNCC(C)C)C1CC1.
What is the InChIKey of N-cyclopropyl-N-(2-methoxyethyl)-4-[(2-methylpropylamino)methyl]pyridin-3-amine?
The InChIKey is QBSBSVMSEVXOPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-13(2)10-18-11-14-6-7-17-12-16(14)19(8-9-20-3)15-4-5-15/h6-7,12-13,15,18H,4-5,8-11H2,1-3H3.
What are the key properties of N-cyclopropyl-N-(2-methoxyethyl)-4-[(2-methylpropylamino)methyl]pyridin-3-amine?
N-cyclopropyl-N-(2-methoxyethyl)-4-[(2-methylpropylamino)methyl]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-cyclopropyl-N-(2-methoxyethyl)-4-[(2-methylpropylamino)methyl]pyridin-3-amine is sourced from PubChem (CID 105073396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).