3-chloro-N-methyl-N-(4-methylpentan-2-yl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine

C16H28ClN3 — CID 62288855

IUPAC3-chloro-N-methyl-N-(4-methylpentan-2-yl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine
SMILESCC(C)CC(C)N(C)c1ncc(CNC(C)C)cc1Cl
InChIInChI=1S/C16H28ClN3/c1-11(2)7-13(5)20(6)16-15(17)8-14(10-19-16)9-18-12(3)4/h8,10-13,18H,7,9H2,1-6H3
InChIKeyMKIOYFMQPOJNEZ-UHFFFAOYSA-N
MW297.87 g/mol
LogP4.10
Rot. Bonds7

About 3-chloro-N-methyl-N-(4-methylpentan-2-yl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine

3-chloro-N-methyl-N-(4-methylpentan-2-yl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine (PubChem CID 62288855) has the molecular formula C16H28ClN3 and a molecular weight of 297.87 g/mol. Its IUPAC name is 3-chloro-N-methyl-N-(4-methylpentan-2-yl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-methyl-N-(4-methylpentan-2-yl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine
PubChem CID62288855
Molecular FormulaC16H28ClN3
Molecular Weight297.87 g/mol
Exact Mass297.20
IUPAC Name3-chloro-N-methyl-N-(4-methylpentan-2-yl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine
SMILESCC(C)CC(C)N(C)c1ncc(CNC(C)C)cc1Cl
InChIInChI=1S/C16H28ClN3/c1-11(2)7-13(5)20(6)16-15(17)8-14(10-19-16)9-18-12(3)4/h8,10-13,18H,7,9H2,1-6H3
InChIKeyMKIOYFMQPOJNEZ-UHFFFAOYSA-N
XLogP4.10
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.87
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-ethyl-N-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62281089
N-butyl-3-chloro-N-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62285650
3-chloro-N-(4-fluorophenyl)-N-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62295297
N-butan-2-yl-5-[(tert-butylamino)methyl]-3-chloro-N-methylpyridin-2-amine
CID 62278984
3-chloro-N-methyl-N-(4-methylcyclohexyl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62287805
3-chloro-N-(cyclopropylmethyl)-5-[(propan-2-ylamino)methyl]-N-propylpyridin-2-amine
CID 62284099
3-chloro-N-methyl-5-[(propan-2-ylamino)methyl]-N-(pyridin-3-ylmethyl)pyridin-2-amine
CID 62281535
3-chloro-N-methyl-N-(2-methylcyclohexyl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62288457
N-[(5-bromothiophen-3-yl)methyl]-3-chloro-N-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62287934
5-(aminomethyl)-3-chloro-N-methyl-N-pentan-2-ylpyridin-2-amine
CID 62286857
3-bromo-5-chloro-N-methyl-N-(4-methylpentan-2-yl)pyridin-2-amine
CID 114836921
3-chloro-N-cyclopropyl-N-(2-methoxyethyl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62293030

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-methyl-N-(4-methylpentan-2-yl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine?
The IUPAC name of 3-chloro-N-methyl-N-(4-methylpentan-2-yl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine (CID 62288855) is 3-chloro-N-methyl-N-(4-methylpentan-2-yl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine.
What is the SMILES notation for 3-chloro-N-methyl-N-(4-methylpentan-2-yl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine?
The canonical SMILES for 3-chloro-N-methyl-N-(4-methylpentan-2-yl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine is CC(C)CC(C)N(C)c1ncc(CNC(C)C)cc1Cl.
What is the InChIKey of 3-chloro-N-methyl-N-(4-methylpentan-2-yl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine?
The InChIKey is MKIOYFMQPOJNEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28ClN3/c1-11(2)7-13(5)20(6)16-15(17)8-14(10-19-16)9-18-12(3)4/h8,10-13,18H,7,9H2,1-6H3.
What are the key properties of 3-chloro-N-methyl-N-(4-methylpentan-2-yl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine?
3-chloro-N-methyl-N-(4-methylpentan-2-yl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine has a molecular weight of 297.87 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-methyl-N-(4-methylpentan-2-yl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine is sourced from PubChem (CID 62288855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).