3-methyl-N-(2-morpholin-4-ylpropyl)-1-pyridin-2-ylbutan-1-amine

C17H29N3O — CID 75382516

IUPAC3-methyl-N-(2-morpholin-4-ylpropyl)-1-pyridin-2-ylbutan-1-amine
SMILESCC(C)CC(NCC(C)N1CCOCC1)c1ccccn1
InChIInChI=1S/C17H29N3O/c1-14(2)12-17(16-6-4-5-7-18-16)19-13-15(3)20-8-10-21-11-9-20/h4-7,14-15,17,19H,8-13H2,1-3H3
InChIKeyBCAROHFIWOVXQY-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.48
Rot. Bonds7

About 3-methyl-N-(2-morpholin-4-ylpropyl)-1-pyridin-2-ylbutan-1-amine

3-methyl-N-(2-morpholin-4-ylpropyl)-1-pyridin-2-ylbutan-1-amine (PubChem CID 75382516) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 3-methyl-N-(2-morpholin-4-ylpropyl)-1-pyridin-2-ylbutan-1-amine.

Molecular Properties

Compound Name3-methyl-N-(2-morpholin-4-ylpropyl)-1-pyridin-2-ylbutan-1-amine
PubChem CID75382516
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name3-methyl-N-(2-morpholin-4-ylpropyl)-1-pyridin-2-ylbutan-1-amine
SMILESCC(C)CC(NCC(C)N1CCOCC1)c1ccccn1
InChIInChI=1S/C17H29N3O/c1-14(2)12-17(16-6-4-5-7-18-16)19-13-15(3)20-8-10-21-11-9-20/h4-7,14-15,17,19H,8-13H2,1-3H3
InChIKeyBCAROHFIWOVXQY-UHFFFAOYSA-N
XLogP2.48
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[(3-methyl-1-pyridin-2-ylbutyl)amino]propan-2-ol
CID 103906509
4-methyl-2-morpholin-4-yl-N-(pyridin-2-ylmethyl)pentan-1-amine
CID 43205332
(2R)-N-[(1S)-2-methylsulfanyl-1-phenylethyl]-2-morpholin-4-ylpropan-1-amine
CID 99602446
2-morpholin-4-yl-2-pyridin-2-ylethanol
CID 91095032
(1S)-3-methyl-1-pyridin-2-yl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]butan-1-amine
CID 97229522
4-(3-methyl-1-phenyl-1-pyridin-2-ylbutan-2-yl)morpholine
CID 44890598
(1R)-3-methyl-1-pyridin-2-yl-N-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]butan-1-amine
CID 97229601
N-[(2S)-2-morpholin-4-ylpropyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 92612749
6-methoxy-N-[(2S)-2-morpholin-4-yl-2-pyridin-2-ylethyl]pyrimidin-4-amine
CID 95132901
N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 70776358
(1R)-N-[(2-imidazol-1-ylphenyl)methyl]-3-methyl-1-pyridin-2-ylbutan-1-amine
CID 97230542
4-[1-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]propan-2-yl]morpholine
CID 135119659

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-morpholin-4-ylpropyl)-1-pyridin-2-ylbutan-1-amine?
The IUPAC name of 3-methyl-N-(2-morpholin-4-ylpropyl)-1-pyridin-2-ylbutan-1-amine (CID 75382516) is 3-methyl-N-(2-morpholin-4-ylpropyl)-1-pyridin-2-ylbutan-1-amine.
What is the SMILES notation for 3-methyl-N-(2-morpholin-4-ylpropyl)-1-pyridin-2-ylbutan-1-amine?
The canonical SMILES for 3-methyl-N-(2-morpholin-4-ylpropyl)-1-pyridin-2-ylbutan-1-amine is CC(C)CC(NCC(C)N1CCOCC1)c1ccccn1.
What is the InChIKey of 3-methyl-N-(2-morpholin-4-ylpropyl)-1-pyridin-2-ylbutan-1-amine?
The InChIKey is BCAROHFIWOVXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-14(2)12-17(16-6-4-5-7-18-16)19-13-15(3)20-8-10-21-11-9-20/h4-7,14-15,17,19H,8-13H2,1-3H3.
What are the key properties of 3-methyl-N-(2-morpholin-4-ylpropyl)-1-pyridin-2-ylbutan-1-amine?
3-methyl-N-(2-morpholin-4-ylpropyl)-1-pyridin-2-ylbutan-1-amine has a molecular weight of 291.44 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-morpholin-4-ylpropyl)-1-pyridin-2-ylbutan-1-amine is sourced from PubChem (CID 75382516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).