3-chloro-N-(cyclopropylmethyl)-5-[(propan-2-ylamino)methyl]-N-propylpyridin-2-amine

C16H26ClN3 — CID 62284099

IUPAC3-chloro-N-(cyclopropylmethyl)-5-[(propan-2-ylamino)methyl]-N-propylpyridin-2-amine
SMILESCCCN(CC1CC1)c1ncc(CNC(C)C)cc1Cl
InChIInChI=1S/C16H26ClN3/c1-4-7-20(11-13-5-6-13)16-15(17)8-14(10-19-16)9-18-12(2)3/h8,10,12-13,18H,4-7,9,11H2,1-3H3
InChIKeyZVKNLZCLAZVXES-UHFFFAOYSA-N
MW295.86 g/mol
LogP3.86
Rot. Bonds8

About 3-chloro-N-(cyclopropylmethyl)-5-[(propan-2-ylamino)methyl]-N-propylpyridin-2-amine

3-chloro-N-(cyclopropylmethyl)-5-[(propan-2-ylamino)methyl]-N-propylpyridin-2-amine (PubChem CID 62284099) has the molecular formula C16H26ClN3 and a molecular weight of 295.86 g/mol. Its IUPAC name is 3-chloro-N-(cyclopropylmethyl)-5-[(propan-2-ylamino)methyl]-N-propylpyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-(cyclopropylmethyl)-5-[(propan-2-ylamino)methyl]-N-propylpyridin-2-amine
PubChem CID62284099
Molecular FormulaC16H26ClN3
Molecular Weight295.86 g/mol
Exact Mass295.18
IUPAC Name3-chloro-N-(cyclopropylmethyl)-5-[(propan-2-ylamino)methyl]-N-propylpyridin-2-amine
SMILESCCCN(CC1CC1)c1ncc(CNC(C)C)cc1Cl
InChIInChI=1S/C16H26ClN3/c1-4-7-20(11-13-5-6-13)16-15(17)8-14(10-19-16)9-18-12(2)3/h8,10,12-13,18H,4-7,9,11H2,1-3H3
InChIKeyZVKNLZCLAZVXES-UHFFFAOYSA-N
XLogP3.86
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.86
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-5-[(cyclopropylamino)methyl]-N-(cyclopropylmethyl)-N-ethylpyridin-2-amine
CID 63941049
3-chloro-N-methyl-N-(4-methylcyclohexyl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62287805
N-butyl-3-chloro-N-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62285650
3-chloro-N-ethyl-N-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62281089
3-chloro-5-(ethylaminomethyl)-N,N-dipropylpyridin-2-amine
CID 62284271
3-chloro-N-(cyclopropylmethyl)-5-(ethylaminomethyl)-N-propan-2-ylpyridin-2-amine
CID 62287460
3-chloro-N-cyclopropyl-N-(2-methoxyethyl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62293030
N-[[5-chloro-6-(cyclopropylmethoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62291329
3-chloro-N-(cyclopropylmethyl)-5-(methylaminomethyl)-N-propan-2-ylpyridin-2-amine
CID 55059331
3-chloro-N-methyl-N-(2-methylcyclohexyl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62288457
N'-[3-chloro-5-[(cyclopropylamino)methyl]-2-pyridinyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 62294850
3-chloro-N-methyl-N-(4-methylpentan-2-yl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62288855

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(cyclopropylmethyl)-5-[(propan-2-ylamino)methyl]-N-propylpyridin-2-amine?
The IUPAC name of 3-chloro-N-(cyclopropylmethyl)-5-[(propan-2-ylamino)methyl]-N-propylpyridin-2-amine (CID 62284099) is 3-chloro-N-(cyclopropylmethyl)-5-[(propan-2-ylamino)methyl]-N-propylpyridin-2-amine.
What is the SMILES notation for 3-chloro-N-(cyclopropylmethyl)-5-[(propan-2-ylamino)methyl]-N-propylpyridin-2-amine?
The canonical SMILES for 3-chloro-N-(cyclopropylmethyl)-5-[(propan-2-ylamino)methyl]-N-propylpyridin-2-amine is CCCN(CC1CC1)c1ncc(CNC(C)C)cc1Cl.
What is the InChIKey of 3-chloro-N-(cyclopropylmethyl)-5-[(propan-2-ylamino)methyl]-N-propylpyridin-2-amine?
The InChIKey is ZVKNLZCLAZVXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN3/c1-4-7-20(11-13-5-6-13)16-15(17)8-14(10-19-16)9-18-12(2)3/h8,10,12-13,18H,4-7,9,11H2,1-3H3.
What are the key properties of 3-chloro-N-(cyclopropylmethyl)-5-[(propan-2-ylamino)methyl]-N-propylpyridin-2-amine?
3-chloro-N-(cyclopropylmethyl)-5-[(propan-2-ylamino)methyl]-N-propylpyridin-2-amine has a molecular weight of 295.86 g/mol, XLogP of 3.86, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(cyclopropylmethyl)-5-[(propan-2-ylamino)methyl]-N-propylpyridin-2-amine is sourced from PubChem (CID 62284099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).