4-[(cyclopropylamino)methyl]-N-(3-methyl-2-propan-2-ylbutyl)pyridin-3-amine

C17H29N3 — CID 102915231

IUPAC4-[(cyclopropylamino)methyl]-N-(3-methyl-2-propan-2-ylbutyl)pyridin-3-amine
SMILESCC(C)C(CNc1cnccc1CNC1CC1)C(C)C
InChIInChI=1S/C17H29N3/c1-12(2)16(13(3)4)10-20-17-11-18-8-7-14(17)9-19-15-5-6-15/h7-8,11-13,15-16,19-20H,5-6,9-10H2,1-4H3
InChIKeyKGGHOERWWYHGPP-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.67
Rot. Bonds8

About 4-[(cyclopropylamino)methyl]-N-(3-methyl-2-propan-2-ylbutyl)pyridin-3-amine

4-[(cyclopropylamino)methyl]-N-(3-methyl-2-propan-2-ylbutyl)pyridin-3-amine (PubChem CID 102915231) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 4-[(cyclopropylamino)methyl]-N-(3-methyl-2-propan-2-ylbutyl)pyridin-3-amine.

Molecular Properties

Compound Name4-[(cyclopropylamino)methyl]-N-(3-methyl-2-propan-2-ylbutyl)pyridin-3-amine
PubChem CID102915231
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name4-[(cyclopropylamino)methyl]-N-(3-methyl-2-propan-2-ylbutyl)pyridin-3-amine
SMILESCC(C)C(CNc1cnccc1CNC1CC1)C(C)C
InChIInChI=1S/C17H29N3/c1-12(2)16(13(3)4)10-20-17-11-18-8-7-14(17)9-19-15-5-6-15/h7-8,11-13,15-16,19-20H,5-6,9-10H2,1-4H3
InChIKeyKGGHOERWWYHGPP-UHFFFAOYSA-N
XLogP3.67
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(cyclopropylamino)methyl]-6-methyl-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine
CID 102915282
5-[(cyclopropylamino)methyl]-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine
CID 102915278
N-(isoquinolin-5-ylmethyl)cyclopropanamine
CID 58170897
N-[(3-chloro-4-pyridinyl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine
CID 102905612
4-[(cyclopropylamino)methyl]-N-methyl-N-pentan-3-ylpyridin-3-amine
CID 105072999
3-[(cyclopropylamino)methyl]-N-ethyl-N-propan-2-ylpyridin-4-amine
CID 81249309
N-[(3-methyl-4-pyridinyl)methyl]-1-propan-2-ylpiperidin-4-amine
CID 114698856
N-[[3-[4-(2-methylpropyl)piperazin-1-yl]-4-pyridinyl]methyl]cyclopropanamine
CID 105073750
N-[[3-[2-(dimethylamino)-2-methylpropoxy]-4-pyridinyl]methyl]cyclopropanamine
CID 105075823
N-cyclopropyl-3-[(cyclopropylamino)methyl]-N-(2-methylpropyl)pyridin-4-amine
CID 81246811
4-[(cyclopropylamino)methyl]-N-methyl-N-(pyridin-4-ylmethyl)pyridin-3-amine
CID 105073052
N-[(3-methyl-4-pyridinyl)methyl]-4-phenylcyclohexan-1-amine
CID 114698974

Frequently Asked Questions

What is the IUPAC name of 4-[(cyclopropylamino)methyl]-N-(3-methyl-2-propan-2-ylbutyl)pyridin-3-amine?
The IUPAC name of 4-[(cyclopropylamino)methyl]-N-(3-methyl-2-propan-2-ylbutyl)pyridin-3-amine (CID 102915231) is 4-[(cyclopropylamino)methyl]-N-(3-methyl-2-propan-2-ylbutyl)pyridin-3-amine.
What is the SMILES notation for 4-[(cyclopropylamino)methyl]-N-(3-methyl-2-propan-2-ylbutyl)pyridin-3-amine?
The canonical SMILES for 4-[(cyclopropylamino)methyl]-N-(3-methyl-2-propan-2-ylbutyl)pyridin-3-amine is CC(C)C(CNc1cnccc1CNC1CC1)C(C)C.
What is the InChIKey of 4-[(cyclopropylamino)methyl]-N-(3-methyl-2-propan-2-ylbutyl)pyridin-3-amine?
The InChIKey is KGGHOERWWYHGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-12(2)16(13(3)4)10-20-17-11-18-8-7-14(17)9-19-15-5-6-15/h7-8,11-13,15-16,19-20H,5-6,9-10H2,1-4H3.
What are the key properties of 4-[(cyclopropylamino)methyl]-N-(3-methyl-2-propan-2-ylbutyl)pyridin-3-amine?
4-[(cyclopropylamino)methyl]-N-(3-methyl-2-propan-2-ylbutyl)pyridin-3-amine has a molecular weight of 275.44 g/mol, XLogP of 3.67, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(cyclopropylamino)methyl]-N-(3-methyl-2-propan-2-ylbutyl)pyridin-3-amine is sourced from PubChem (CID 102915231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).