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

C15H27N3 — CID 62281070

IUPACN-butan-2-yl-N-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine
SMILESCCC(C)N(C)c1ncccc1CNCC(C)C
InChIInChI=1S/C15H27N3/c1-6-13(4)18(5)15-14(8-7-9-17-15)11-16-10-12(2)3/h7-9,12-13,16H,6,10-11H2,1-5H3
InChIKeyLYLPYSAYYWWLSS-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.06
Rot. Bonds7

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

N-butan-2-yl-N-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine (PubChem CID 62281070) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is N-butan-2-yl-N-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-butan-2-yl-N-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine
PubChem CID62281070
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC NameN-butan-2-yl-N-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine
SMILESCCC(C)N(C)c1ncccc1CNCC(C)C
InChIInChI=1S/C15H27N3/c1-6-13(4)18(5)15-14(8-7-9-17-15)11-16-10-12(2)3/h7-9,12-13,16H,6,10-11H2,1-5H3
InChIKeyLYLPYSAYYWWLSS-UHFFFAOYSA-N
XLogP3.06
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-methylpropylamino)methyl]-N,N-dipropylpyridin-2-amine
CID 62285279
1-[methyl-[3-[(2-methylpropylamino)methyl]-2-pyridinyl]amino]propan-2-ol
CID 114056940
N-methyl-N-(4-methylphenyl)-3-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62282701
N-methyl-3-(methylaminomethyl)-N-(4-methylpentan-2-yl)pyridin-2-amine
CID 62287960
N-(3-fluorophenyl)-N-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62294691
N-(cyclohexylmethyl)-N-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62287115
N,N-bis(2-methylpropyl)-3-(propylaminomethyl)pyridin-2-amine
CID 62283165
3-(ethylaminomethyl)-N,N-bis(3-methylbutyl)pyridin-2-amine
CID 107871204
N'-[3-(ethylaminomethyl)-2-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 62282134
3-[(2-methylpropylamino)methyl]pyridine-2-carbonitrile
CID 62895521
N-methyl-N-[[3-[(2-methylpropylamino)methyl]-2-pyridinyl]methyl]cyclopropanamine
CID 114198984
N-butan-2-yl-N,3-dimethyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 80629582

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine?
The IUPAC name of N-butan-2-yl-N-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine (CID 62281070) is N-butan-2-yl-N-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine.
What is the SMILES notation for N-butan-2-yl-N-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine?
The canonical SMILES for N-butan-2-yl-N-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine is CCC(C)N(C)c1ncccc1CNCC(C)C.
What is the InChIKey of N-butan-2-yl-N-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine?
The InChIKey is LYLPYSAYYWWLSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-6-13(4)18(5)15-14(8-7-9-17-15)11-16-10-12(2)3/h7-9,12-13,16H,6,10-11H2,1-5H3.
What are the key properties of N-butan-2-yl-N-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine?
N-butan-2-yl-N-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine has a molecular weight of 249.40 g/mol, XLogP of 3.06, 7 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-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine is sourced from PubChem (CID 62281070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).