3-methyl-N-(2-methylpropyl)-5-[(2-methylpropylamino)methyl]-N-propan-2-ylpyridin-2-amine

C18H33N3 — CID 80631917

IUPAC3-methyl-N-(2-methylpropyl)-5-[(2-methylpropylamino)methyl]-N-propan-2-ylpyridin-2-amine
SMILESCc1cc(CNCC(C)C)cnc1N(CC(C)C)C(C)C
InChIInChI=1S/C18H33N3/c1-13(2)9-19-10-17-8-16(7)18(20-11-17)21(15(5)6)12-14(3)4/h8,11,13-15,19H,9-10,12H2,1-7H3
InChIKeyVKAOPMXTAGURRK-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.01
Rot. Bonds8

About 3-methyl-N-(2-methylpropyl)-5-[(2-methylpropylamino)methyl]-N-propan-2-ylpyridin-2-amine

3-methyl-N-(2-methylpropyl)-5-[(2-methylpropylamino)methyl]-N-propan-2-ylpyridin-2-amine (PubChem CID 80631917) has the molecular formula C18H33N3 and a molecular weight of 291.48 g/mol. Its IUPAC name is 3-methyl-N-(2-methylpropyl)-5-[(2-methylpropylamino)methyl]-N-propan-2-ylpyridin-2-amine.

Molecular Properties

Compound Name3-methyl-N-(2-methylpropyl)-5-[(2-methylpropylamino)methyl]-N-propan-2-ylpyridin-2-amine
PubChem CID80631917
Molecular FormulaC18H33N3
Molecular Weight291.48 g/mol
Exact Mass291.27
IUPAC Name3-methyl-N-(2-methylpropyl)-5-[(2-methylpropylamino)methyl]-N-propan-2-ylpyridin-2-amine
SMILESCc1cc(CNCC(C)C)cnc1N(CC(C)C)C(C)C
InChIInChI=1S/C18H33N3/c1-13(2)9-19-10-17-8-16(7)18(20-11-17)21(15(5)6)12-14(3)4/h8,11,13-15,19H,9-10,12H2,1-7H3
InChIKeyVKAOPMXTAGURRK-UHFFFAOYSA-N
XLogP4.01
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-N,3-dimethyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 80629582
1-methoxy-3-[methyl-[3-methyl-5-[(2-methylpropylamino)methyl]-2-pyridinyl]amino]propan-2-ol
CID 80632443
N-(cyclopropylmethyl)-N-ethyl-3-methyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 80636161
2-methyl-N-[(5-methyl-6-methylsulfanyl-3-pyridinyl)methyl]propan-1-amine
CID 80651160
N,3-dimethyl-5-[(2-methylpropylamino)methyl]-N-(thiolan-3-yl)pyridin-2-amine
CID 80630168
N-cyclopentyl-5-(ethylaminomethyl)-3-methyl-N-(2-methylpropyl)pyridin-2-amine
CID 80638803
N-[(6-butan-2-ylsulfanyl-5-methyl-3-pyridinyl)methyl]-2-methylpropan-1-amine
CID 80639461
N-butan-2-yl-5-(ethylaminomethyl)-N-(2-methoxyethyl)-3-methylpyridin-2-amine
CID 80630535
5-[(cyclopropylamino)methyl]-N-(cyclopropylmethyl)-3-methyl-N-propan-2-ylpyridin-2-amine
CID 80630227
N-butan-2-yl-N-butyl-3-methyl-5-(propylaminomethyl)pyridin-2-amine
CID 80636831
2-methyl-N-[[5-methyl-6-(2-methylphenyl)sulfanyl-3-pyridinyl]methyl]propan-1-amine
CID 80639314
5-(2-aminopropyl)-3-methyl-N-(2-methylpropyl)-N-pentan-3-ylpyridin-2-amine
CID 80630712

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-methylpropyl)-5-[(2-methylpropylamino)methyl]-N-propan-2-ylpyridin-2-amine?
The IUPAC name of 3-methyl-N-(2-methylpropyl)-5-[(2-methylpropylamino)methyl]-N-propan-2-ylpyridin-2-amine (CID 80631917) is 3-methyl-N-(2-methylpropyl)-5-[(2-methylpropylamino)methyl]-N-propan-2-ylpyridin-2-amine.
What is the SMILES notation for 3-methyl-N-(2-methylpropyl)-5-[(2-methylpropylamino)methyl]-N-propan-2-ylpyridin-2-amine?
The canonical SMILES for 3-methyl-N-(2-methylpropyl)-5-[(2-methylpropylamino)methyl]-N-propan-2-ylpyridin-2-amine is Cc1cc(CNCC(C)C)cnc1N(CC(C)C)C(C)C.
What is the InChIKey of 3-methyl-N-(2-methylpropyl)-5-[(2-methylpropylamino)methyl]-N-propan-2-ylpyridin-2-amine?
The InChIKey is VKAOPMXTAGURRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3/c1-13(2)9-19-10-17-8-16(7)18(20-11-17)21(15(5)6)12-14(3)4/h8,11,13-15,19H,9-10,12H2,1-7H3.
What are the key properties of 3-methyl-N-(2-methylpropyl)-5-[(2-methylpropylamino)methyl]-N-propan-2-ylpyridin-2-amine?
3-methyl-N-(2-methylpropyl)-5-[(2-methylpropylamino)methyl]-N-propan-2-ylpyridin-2-amine has a molecular weight of 291.48 g/mol, XLogP of 4.01, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-methylpropyl)-5-[(2-methylpropylamino)methyl]-N-propan-2-ylpyridin-2-amine is sourced from PubChem (CID 80631917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).