N-butan-2-yl-N-butyl-5-[(cyclopropylamino)methyl]-3-methylpyridin-2-amine

C18H31N3 — CID 80632919

IUPACN-butan-2-yl-N-butyl-5-[(cyclopropylamino)methyl]-3-methylpyridin-2-amine
SMILESCCCCN(c1ncc(CNC2CC2)cc1C)C(C)CC
InChIInChI=1S/C18H31N3/c1-5-7-10-21(15(4)6-2)18-14(3)11-16(13-20-18)12-19-17-8-9-17/h11,13,15,17,19H,5-10,12H2,1-4H3
InChIKeyBNFZAUUPMSFIJP-UHFFFAOYSA-N
MW289.47 g/mol
LogP4.05
Rot. Bonds9

About N-butan-2-yl-N-butyl-5-[(cyclopropylamino)methyl]-3-methylpyridin-2-amine

N-butan-2-yl-N-butyl-5-[(cyclopropylamino)methyl]-3-methylpyridin-2-amine (PubChem CID 80632919) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is N-butan-2-yl-N-butyl-5-[(cyclopropylamino)methyl]-3-methylpyridin-2-amine.

Molecular Properties

Compound NameN-butan-2-yl-N-butyl-5-[(cyclopropylamino)methyl]-3-methylpyridin-2-amine
PubChem CID80632919
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC NameN-butan-2-yl-N-butyl-5-[(cyclopropylamino)methyl]-3-methylpyridin-2-amine
SMILESCCCCN(c1ncc(CNC2CC2)cc1C)C(C)CC
InChIInChI=1S/C18H31N3/c1-5-7-10-21(15(4)6-2)18-14(3)11-16(13-20-18)12-19-17-8-9-17/h11,13,15,17,19H,5-10,12H2,1-4H3
InChIKeyBNFZAUUPMSFIJP-UHFFFAOYSA-N
XLogP4.05
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-N-butyl-3-methyl-5-(propylaminomethyl)pyridin-2-amine
CID 80636831
5-[(cyclopropylamino)methyl]-N,3-dimethyl-N-pentylpyridin-2-amine
CID 80630395
N-butan-2-yl-N-butyl-5-[(cyclopropylamino)methyl]pyridin-2-amine
CID 62289463
5-[(cyclopropylamino)methyl]-N-(cyclopropylmethyl)-3-methyl-N-propan-2-ylpyridin-2-amine
CID 80630227
N-cyclopropyl-5-[(cyclopropylamino)methyl]-3-methyl-N-propylpyridin-2-amine
CID 80630811
5-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-N-ethyl-3-methylpyridin-2-amine
CID 80636298
5-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-N,3-dimethylpyridin-2-amine
CID 81057209
N-butan-2-yl-5-(ethylaminomethyl)-N-(2-methoxyethyl)-3-methylpyridin-2-amine
CID 80630535
1-[[5-[(cyclopropylamino)methyl]-3-methyl-2-pyridinyl]-methylamino]-3-methoxypropan-2-ol
CID 80630791
N,N-dibutyl-3-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 80631971
N-butan-2-yl-5-[(cyclopropylamino)methyl]-N-ethylpyridin-2-amine
CID 62278694
N-cyclopropyl-5-[(cyclopropylamino)methyl]-3-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 80637515

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-butyl-5-[(cyclopropylamino)methyl]-3-methylpyridin-2-amine?
The IUPAC name of N-butan-2-yl-N-butyl-5-[(cyclopropylamino)methyl]-3-methylpyridin-2-amine (CID 80632919) is N-butan-2-yl-N-butyl-5-[(cyclopropylamino)methyl]-3-methylpyridin-2-amine.
What is the SMILES notation for N-butan-2-yl-N-butyl-5-[(cyclopropylamino)methyl]-3-methylpyridin-2-amine?
The canonical SMILES for N-butan-2-yl-N-butyl-5-[(cyclopropylamino)methyl]-3-methylpyridin-2-amine is CCCCN(c1ncc(CNC2CC2)cc1C)C(C)CC.
What is the InChIKey of N-butan-2-yl-N-butyl-5-[(cyclopropylamino)methyl]-3-methylpyridin-2-amine?
The InChIKey is BNFZAUUPMSFIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-5-7-10-21(15(4)6-2)18-14(3)11-16(13-20-18)12-19-17-8-9-17/h11,13,15,17,19H,5-10,12H2,1-4H3.
What are the key properties of N-butan-2-yl-N-butyl-5-[(cyclopropylamino)methyl]-3-methylpyridin-2-amine?
N-butan-2-yl-N-butyl-5-[(cyclopropylamino)methyl]-3-methylpyridin-2-amine has a molecular weight of 289.47 g/mol, XLogP of 4.05, 9 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-5-[(cyclopropylamino)methyl]-3-methylpyridin-2-amine is sourced from PubChem (CID 80632919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).