N-butan-2-yl-N-butyl-4-[(2-methylpropylamino)methyl]pyridin-3-amine

C18H33N3 — CID 105073725

IUPACN-butan-2-yl-N-butyl-4-[(2-methylpropylamino)methyl]pyridin-3-amine
SMILESCCCCN(c1cnccc1CNCC(C)C)C(C)CC
InChIInChI=1S/C18H33N3/c1-6-8-11-21(16(5)7-2)18-14-19-10-9-17(18)13-20-12-15(3)4/h9-10,14-16,20H,6-8,11-13H2,1-5H3
InChIKeyFOXKRACWUNUSDF-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.23
Rot. Bonds10

About N-butan-2-yl-N-butyl-4-[(2-methylpropylamino)methyl]pyridin-3-amine

N-butan-2-yl-N-butyl-4-[(2-methylpropylamino)methyl]pyridin-3-amine (PubChem CID 105073725) has the molecular formula C18H33N3 and a molecular weight of 291.48 g/mol. Its IUPAC name is N-butan-2-yl-N-butyl-4-[(2-methylpropylamino)methyl]pyridin-3-amine.

Molecular Properties

Compound NameN-butan-2-yl-N-butyl-4-[(2-methylpropylamino)methyl]pyridin-3-amine
PubChem CID105073725
Molecular FormulaC18H33N3
Molecular Weight291.48 g/mol
Exact Mass291.27
IUPAC NameN-butan-2-yl-N-butyl-4-[(2-methylpropylamino)methyl]pyridin-3-amine
SMILESCCCCN(c1cnccc1CNCC(C)C)C(C)CC
InChIInChI=1S/C18H33N3/c1-6-8-11-21(16(5)7-2)18-14-19-10-9-17(18)13-20-12-15(3)4/h9-10,14-16,20H,6-8,11-13H2,1-5H3
InChIKeyFOXKRACWUNUSDF-UHFFFAOYSA-N
XLogP4.23
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-N-ethyl-4-(propylaminomethyl)pyridin-3-amine
CID 105072908
N-ethyl-N-(1-methoxypropan-2-yl)-4-[(2-methylpropylamino)methyl]pyridin-3-amine
CID 105073191
4-[(2-methylpropylamino)methyl]-N-propan-2-yl-N-prop-2-enylpyridin-3-amine
CID 105074326
N-butan-2-yl-N-butyl-3-[(tert-butylamino)methyl]pyridin-4-amine
CID 81253404
N,N-dibutyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine
CID 105072837
N-methyl-4-[(2-methylpropylamino)methyl]-N-(2-pyrrolidin-1-ylethyl)pyridin-3-amine
CID 105073871
N-butan-2-yl-N-butyl-2-(ethylaminomethyl)-4-fluoroaniline
CID 63551014
N-[(4-heptoxy-3-pyridinyl)methyl]-2-methylpropan-1-amine
CID 81254076
N-cyclopropyl-N-(2-methoxyethyl)-4-[(2-methylpropylamino)methyl]pyridin-3-amine
CID 105073396
N-methyl-N-(3-methylphenyl)-4-[(2-methylpropylamino)methyl]pyridin-3-amine
CID 105073335
N-butyl-N-methyl-4-(methylaminomethyl)pyridin-3-amine
CID 105072693
4-(methylaminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpyridin-3-amine
CID 105074176

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-butyl-4-[(2-methylpropylamino)methyl]pyridin-3-amine?
The IUPAC name of N-butan-2-yl-N-butyl-4-[(2-methylpropylamino)methyl]pyridin-3-amine (CID 105073725) is N-butan-2-yl-N-butyl-4-[(2-methylpropylamino)methyl]pyridin-3-amine.
What is the SMILES notation for N-butan-2-yl-N-butyl-4-[(2-methylpropylamino)methyl]pyridin-3-amine?
The canonical SMILES for N-butan-2-yl-N-butyl-4-[(2-methylpropylamino)methyl]pyridin-3-amine is CCCCN(c1cnccc1CNCC(C)C)C(C)CC.
What is the InChIKey of N-butan-2-yl-N-butyl-4-[(2-methylpropylamino)methyl]pyridin-3-amine?
The InChIKey is FOXKRACWUNUSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3/c1-6-8-11-21(16(5)7-2)18-14-19-10-9-17(18)13-20-12-15(3)4/h9-10,14-16,20H,6-8,11-13H2,1-5H3.
What are the key properties of N-butan-2-yl-N-butyl-4-[(2-methylpropylamino)methyl]pyridin-3-amine?
N-butan-2-yl-N-butyl-4-[(2-methylpropylamino)methyl]pyridin-3-amine has a molecular weight of 291.48 g/mol, XLogP of 4.23, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-butyl-4-[(2-methylpropylamino)methyl]pyridin-3-amine is sourced from PubChem (CID 105073725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).