4-(aminomethyl)-3-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylpyridin-2-amine

C14H23ClN4 — CID 107055789

IUPAC4-(aminomethyl)-3-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylpyridin-2-amine
SMILESCN(CC1(N(C)C)CCC1)c1nccc(CN)c1Cl
InChIInChI=1S/C14H23ClN4/c1-18(2)14(6-4-7-14)10-19(3)13-12(15)11(9-16)5-8-17-13/h5,8H,4,6-7,9-10,16H2,1-3H3
InChIKeyINDBGZUKPPJQEO-UHFFFAOYSA-N
MW282.82 g/mol
LogP2.11
Rot. Bonds5

About 4-(aminomethyl)-3-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylpyridin-2-amine

4-(aminomethyl)-3-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylpyridin-2-amine (PubChem CID 107055789) has the molecular formula C14H23ClN4 and a molecular weight of 282.82 g/mol. Its IUPAC name is 4-(aminomethyl)-3-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name4-(aminomethyl)-3-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylpyridin-2-amine
PubChem CID107055789
Molecular FormulaC14H23ClN4
Molecular Weight282.82 g/mol
Exact Mass282.16
IUPAC Name4-(aminomethyl)-3-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylpyridin-2-amine
SMILESCN(CC1(N(C)C)CCC1)c1nccc(CN)c1Cl
InChIInChI=1S/C14H23ClN4/c1-18(2)14(6-4-7-14)10-19(3)13-12(15)11(9-16)5-8-17-13/h5,8H,4,6-7,9-10,16H2,1-3H3
InChIKeyINDBGZUKPPJQEO-UHFFFAOYSA-N
XLogP2.11
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.82
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-3-chloro-N-(cyclopentylmethyl)-N-methylpyridin-2-amine
CID 107055552
4-(aminomethyl)-3-chloro-N-(cyclopropylmethyl)-N-methylpyridin-2-amine
CID 107055221
[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-fluoro-4-pyridinyl]methanol
CID 105416170
N-[[1-(dimethylamino)cyclobutyl]methyl]-3-fluoro-N-methyl-4-(methylaminomethyl)pyridin-2-amine
CID 105417520
4-(aminomethyl)-3-chloro-N-methyl-N-(oxan-4-ylmethyl)pyridin-2-amine
CID 107055559
4-(aminomethyl)-3-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpyridin-2-amine
CID 107055274
4-(aminomethyl)-N-butan-2-yl-3-chloro-N-methylpyridin-2-amine
CID 107055114
4-(aminomethyl)-3-chloro-N-methyl-N-(thiophen-3-ylmethyl)pyridin-2-amine
CID 107055137
2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]pyridine-3-carbothioamide
CID 105418161
3,5,6-trichloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylpyridin-2-amine
CID 102752109
3-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylimidazo[1,2-a]pyridin-2-amine
CID 105415944
4-(aminomethyl)-3-chloro-N-(1,1-dioxothiolan-3-yl)-N-methylpyridin-2-amine
CID 107055209

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-3-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylpyridin-2-amine?
The IUPAC name of 4-(aminomethyl)-3-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylpyridin-2-amine (CID 107055789) is 4-(aminomethyl)-3-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylpyridin-2-amine.
What is the SMILES notation for 4-(aminomethyl)-3-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylpyridin-2-amine?
The canonical SMILES for 4-(aminomethyl)-3-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylpyridin-2-amine is CN(CC1(N(C)C)CCC1)c1nccc(CN)c1Cl.
What is the InChIKey of 4-(aminomethyl)-3-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylpyridin-2-amine?
The InChIKey is INDBGZUKPPJQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN4/c1-18(2)14(6-4-7-14)10-19(3)13-12(15)11(9-16)5-8-17-13/h5,8H,4,6-7,9-10,16H2,1-3H3.
What are the key properties of 4-(aminomethyl)-3-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylpyridin-2-amine?
4-(aminomethyl)-3-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylpyridin-2-amine has a molecular weight of 282.82 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-3-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylpyridin-2-amine is sourced from PubChem (CID 107055789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).