N'-[6-[(tert-butylamino)methyl]-5-chloro-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine

C16H29ClN4 — CID 63699864

IUPACN'-[6-[(tert-butylamino)methyl]-5-chloro-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine
SMILESCN(C)CCCN(C)c1ccc(Cl)c(CNC(C)(C)C)n1
InChIInChI=1S/C16H29ClN4/c1-16(2,3)18-12-14-13(17)8-9-15(19-14)21(6)11-7-10-20(4)5/h8-9,18H,7,10-12H2,1-6H3
InChIKeyQQBQRPXFHADLOR-UHFFFAOYSA-N
MW312.89 g/mol
LogP3.01
Rot. Bonds7

About N'-[6-[(tert-butylamino)methyl]-5-chloro-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine

N'-[6-[(tert-butylamino)methyl]-5-chloro-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine (PubChem CID 63699864) has the molecular formula C16H29ClN4 and a molecular weight of 312.89 g/mol. Its IUPAC name is N'-[6-[(tert-butylamino)methyl]-5-chloro-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[6-[(tert-butylamino)methyl]-5-chloro-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine
PubChem CID63699864
Molecular FormulaC16H29ClN4
Molecular Weight312.89 g/mol
Exact Mass312.21
IUPAC NameN'-[6-[(tert-butylamino)methyl]-5-chloro-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine
SMILESCN(C)CCCN(C)c1ccc(Cl)c(CNC(C)(C)C)n1
InChIInChI=1S/C16H29ClN4/c1-16(2,3)18-12-14-13(17)8-9-15(19-14)21(6)11-7-10-20(4)5/h8-9,18H,7,10-12H2,1-6H3
InChIKeyQQBQRPXFHADLOR-UHFFFAOYSA-N
XLogP3.01
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.89
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[5-chloro-6-(methylaminomethyl)-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63699861
6-[(tert-butylamino)methyl]-5-chloro-N-(cyclopropylmethyl)-N-methylpyridin-2-amine
CID 62283149
6-[(tert-butylamino)methyl]-5-chloro-N-methyl-N-phenylpyridin-2-amine
CID 62284232
6-[(tert-butylamino)methyl]-5-chloro-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine
CID 62283705
N-butyl-5-chloro-N-methyl-6-(methylaminomethyl)pyridin-2-amine
CID 62285649
N'-[2-[(tert-butylamino)methyl]-3-chlorophenyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63698868
N'-[5-chloro-6-(methylaminomethyl)-2-pyridinyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102997409
5-chloro-N-(3-methoxypropyl)-N-methyl-6-(methylaminomethyl)pyridin-2-amine
CID 63008843
6-[(tert-butylamino)methyl]-5-chloro-N-methyl-N-(oxolan-3-yl)pyridin-2-amine
CID 82754331
6-[(tert-butylamino)methyl]-5-chloro-N-(2-methoxyethyl)-N-prop-2-enylpyridin-2-amine
CID 103340062
5-chloro-N-(2,2-dimethylpropyl)-N-methyl-6-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62288309
N'-[4-[(tert-butylamino)methyl]-3-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 105073949

Frequently Asked Questions

What is the IUPAC name of N'-[6-[(tert-butylamino)methyl]-5-chloro-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine?
The IUPAC name of N'-[6-[(tert-butylamino)methyl]-5-chloro-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine (CID 63699864) is N'-[6-[(tert-butylamino)methyl]-5-chloro-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine.
What is the SMILES notation for N'-[6-[(tert-butylamino)methyl]-5-chloro-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine?
The canonical SMILES for N'-[6-[(tert-butylamino)methyl]-5-chloro-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine is CN(C)CCCN(C)c1ccc(Cl)c(CNC(C)(C)C)n1.
What is the InChIKey of N'-[6-[(tert-butylamino)methyl]-5-chloro-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine?
The InChIKey is QQBQRPXFHADLOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29ClN4/c1-16(2,3)18-12-14-13(17)8-9-15(19-14)21(6)11-7-10-20(4)5/h8-9,18H,7,10-12H2,1-6H3.
What are the key properties of N'-[6-[(tert-butylamino)methyl]-5-chloro-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine?
N'-[6-[(tert-butylamino)methyl]-5-chloro-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine has a molecular weight of 312.89 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[6-[(tert-butylamino)methyl]-5-chloro-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine is sourced from PubChem (CID 63699864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).