N'-[4-[(tert-butylamino)methyl]-5-chloro-2-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine

C15H27ClN4 — CID 114926497

IUPACN'-[4-[(tert-butylamino)methyl]-5-chloro-2-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine
SMILESCN(C)CCN(C)c1cc(CNC(C)(C)C)c(Cl)cn1
InChIInChI=1S/C15H27ClN4/c1-15(2,3)18-10-12-9-14(17-11-13(12)16)20(6)8-7-19(4)5/h9,11,18H,7-8,10H2,1-6H3
InChIKeyVSAZFNKEYQUQTJ-UHFFFAOYSA-N
MW298.86 g/mol
LogP2.62
Rot. Bonds6

About N'-[4-[(tert-butylamino)methyl]-5-chloro-2-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine

N'-[4-[(tert-butylamino)methyl]-5-chloro-2-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine (PubChem CID 114926497) has the molecular formula C15H27ClN4 and a molecular weight of 298.86 g/mol. Its IUPAC name is N'-[4-[(tert-butylamino)methyl]-5-chloro-2-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[4-[(tert-butylamino)methyl]-5-chloro-2-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine
PubChem CID114926497
Molecular FormulaC15H27ClN4
Molecular Weight298.86 g/mol
Exact Mass298.19
IUPAC NameN'-[4-[(tert-butylamino)methyl]-5-chloro-2-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine
SMILESCN(C)CCN(C)c1cc(CNC(C)(C)C)c(Cl)cn1
InChIInChI=1S/C15H27ClN4/c1-15(2,3)18-10-12-9-14(17-11-13(12)16)20(6)8-7-19(4)5/h9,11,18H,7-8,10H2,1-6H3
InChIKeyVSAZFNKEYQUQTJ-UHFFFAOYSA-N
XLogP2.62
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.86
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N'-[4-[(tert-butylamino)methyl]-5-chloro-2-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine with MolForge

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Related Compounds

4-[(tert-butylamino)methyl]-5-chloro-N-ethyl-N-methylpyridin-2-amine
CID 114925367
4-[(tert-butylamino)methyl]-5-chloro-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine
CID 114925749
5-chloro-N-(2,2-dimethylpropyl)-4-(ethylaminomethyl)-N-methylpyridin-2-amine
CID 114926105
5-chloro-4-(ethylaminomethyl)-N-methyl-N-pentylpyridin-2-amine
CID 114925483
4-[(tert-butylamino)methyl]-5-chloro-N-(2-ethoxyethyl)-N-ethylpyridin-2-amine
CID 114926488
5-chloro-N-(2-methoxyethyl)-N-methyl-4-(methylaminomethyl)pyridin-2-amine
CID 114926159
4-[(tert-butylamino)methyl]-5-chloro-N-(cyclopropylmethyl)-N-prop-2-ynylpyridin-2-amine
CID 114926855
4-[(tert-butylamino)methyl]-5-chloro-N-(cyclobutylmethyl)-N-ethylpyridin-2-amine
CID 107401854
5-chloro-4-(chloromethyl)-N-methyl-N-propylpyridin-2-amine
CID 114920828
5-chloro-N-ethyl-N-methyl-4-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 114925371
5-chloro-4-(ethylaminomethyl)-N-methyl-N-propan-2-ylpyridin-2-amine
CID 114925130
5-chloro-N-methyl-4-[(2-methylpropylamino)methyl]-N-propan-2-ylpyridin-2-amine
CID 114925131

Frequently Asked Questions

What is the IUPAC name of N'-[4-[(tert-butylamino)methyl]-5-chloro-2-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine?
The IUPAC name of N'-[4-[(tert-butylamino)methyl]-5-chloro-2-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine (CID 114926497) is N'-[4-[(tert-butylamino)methyl]-5-chloro-2-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine.
What is the SMILES notation for N'-[4-[(tert-butylamino)methyl]-5-chloro-2-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine?
The canonical SMILES for N'-[4-[(tert-butylamino)methyl]-5-chloro-2-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine is CN(C)CCN(C)c1cc(CNC(C)(C)C)c(Cl)cn1.
What is the InChIKey of N'-[4-[(tert-butylamino)methyl]-5-chloro-2-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine?
The InChIKey is VSAZFNKEYQUQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27ClN4/c1-15(2,3)18-10-12-9-14(17-11-13(12)16)20(6)8-7-19(4)5/h9,11,18H,7-8,10H2,1-6H3.
What are the key properties of N'-[4-[(tert-butylamino)methyl]-5-chloro-2-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine?
N'-[4-[(tert-butylamino)methyl]-5-chloro-2-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine has a molecular weight of 298.86 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[(tert-butylamino)methyl]-5-chloro-2-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine is sourced from PubChem (CID 114926497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).