N-cyclobutyl-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine

C14H23N3 — CID 105074523

IUPACN-cyclobutyl-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine
SMILESCC(C)NCc1ccncc1N(C)C1CCC1
InChIInChI=1S/C14H23N3/c1-11(2)16-9-12-7-8-15-10-14(12)17(3)13-5-4-6-13/h7-8,10-11,13,16H,4-6,9H2,1-3H3
InChIKeyBJTXELGCYYRKLF-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.57
Rot. Bonds5

About N-cyclobutyl-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine

N-cyclobutyl-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine (PubChem CID 105074523) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is N-cyclobutyl-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine.

Molecular Properties

Compound NameN-cyclobutyl-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine
PubChem CID105074523
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC NameN-cyclobutyl-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine
SMILESCC(C)NCc1ccncc1N(C)C1CCC1
InChIInChI=1S/C14H23N3/c1-11(2)16-9-12-7-8-15-10-14(12)17(3)13-5-4-6-13/h7-8,10-11,13,16H,4-6,9H2,1-3H3
InChIKeyBJTXELGCYYRKLF-UHFFFAOYSA-N
XLogP2.57
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(4-methylcyclohexyl)-4-[(propan-2-ylamino)methyl]pyridin-3-amine
CID 105073614
N-cyclopentyl-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 81248504
N-cyclobutyl-4-(ethylaminomethyl)-N-methylpyridin-3-amine
CID 105074525
4-(chloromethyl)-N-cyclopentyl-N-methylpyridin-3-amine
CID 105067287
4-[(tert-butylamino)methyl]-N-cyclopropyl-N-methylpyridin-3-amine
CID 105072864
N-(cyclopropylmethyl)-4-[(propan-2-ylamino)methyl]-N-propylpyridin-3-amine
CID 105073290
N-(4-fluorophenyl)-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine
CID 105073352
N-(3,3-dimethylbutan-2-yl)-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine
CID 105073184
[3-[cyclopropyl(methyl)amino]-4-pyridinyl]methanol
CID 105066695
N-methyl-4-[(propan-2-ylamino)methyl]-N-prop-2-enylpyridin-3-amine
CID 105074309
4-(ethylaminomethyl)-N-methyl-N-(oxan-4-yl)pyridin-3-amine
CID 105073064
N-ethyl-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 81248510

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine?
The IUPAC name of N-cyclobutyl-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine (CID 105074523) is N-cyclobutyl-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine.
What is the SMILES notation for N-cyclobutyl-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine?
The canonical SMILES for N-cyclobutyl-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine is CC(C)NCc1ccncc1N(C)C1CCC1.
What is the InChIKey of N-cyclobutyl-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine?
The InChIKey is BJTXELGCYYRKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-11(2)16-9-12-7-8-15-10-14(12)17(3)13-5-4-6-13/h7-8,10-11,13,16H,4-6,9H2,1-3H3.
What are the key properties of N-cyclobutyl-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine?
N-cyclobutyl-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine has a molecular weight of 233.36 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine is sourced from PubChem (CID 105074523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).