5-chloro-N-ethyl-N-(2-methylpropyl)-4-[(2-methylpropylamino)methyl]pyridin-2-amine

C16H28ClN3 — CID 114925419

IUPAC5-chloro-N-ethyl-N-(2-methylpropyl)-4-[(2-methylpropylamino)methyl]pyridin-2-amine
SMILESCCN(CC(C)C)c1cc(CNCC(C)C)c(Cl)cn1
InChIInChI=1S/C16H28ClN3/c1-6-20(11-13(4)5)16-7-14(15(17)10-19-16)9-18-8-12(2)3/h7,10,12-13,18H,6,8-9,11H2,1-5H3
InChIKeyLXVVEVOUWNNVJZ-UHFFFAOYSA-N
MW297.87 g/mol
LogP3.96
Rot. Bonds8

About 5-chloro-N-ethyl-N-(2-methylpropyl)-4-[(2-methylpropylamino)methyl]pyridin-2-amine

5-chloro-N-ethyl-N-(2-methylpropyl)-4-[(2-methylpropylamino)methyl]pyridin-2-amine (PubChem CID 114925419) has the molecular formula C16H28ClN3 and a molecular weight of 297.87 g/mol. Its IUPAC name is 5-chloro-N-ethyl-N-(2-methylpropyl)-4-[(2-methylpropylamino)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-ethyl-N-(2-methylpropyl)-4-[(2-methylpropylamino)methyl]pyridin-2-amine
PubChem CID114925419
Molecular FormulaC16H28ClN3
Molecular Weight297.87 g/mol
Exact Mass297.20
IUPAC Name5-chloro-N-ethyl-N-(2-methylpropyl)-4-[(2-methylpropylamino)methyl]pyridin-2-amine
SMILESCCN(CC(C)C)c1cc(CNCC(C)C)c(Cl)cn1
InChIInChI=1S/C16H28ClN3/c1-6-20(11-13(4)5)16-7-14(15(17)10-19-16)9-18-8-12(2)3/h7,10,12-13,18H,6,8-9,11H2,1-5H3
InChIKeyLXVVEVOUWNNVJZ-UHFFFAOYSA-N
XLogP3.96
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.87
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-ethyl-N-(2-methylpropyl)-4-(propylaminomethyl)pyridin-2-amine
CID 114925412
5-chloro-N-ethyl-N-methyl-4-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 114925371
5-chloro-N-methyl-4-[(2-methylpropylamino)methyl]-N-propan-2-ylpyridin-2-amine
CID 114925131
5-chloro-N-cyclopropyl-N-ethyl-4-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 114925446
5-chloro-N-ethyl-N-(2-methylpropyl)-6-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62280243
5-chloro-N-ethyl-4-(ethylaminomethyl)-N-prop-2-enylpyridin-2-amine
CID 114926894
N'-[4-(aminomethyl)-5-chloro-2-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 114925738
N-[[5-chloro-2-(3-methylbutoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 114927694
5-chloro-4-(ethylaminomethyl)-N-methyl-N-propan-2-ylpyridin-2-amine
CID 114925130
N,N-dibutyl-5-chloro-4-(propylaminomethyl)pyridin-2-amine
CID 114925296
[5-chloro-2-(diethylamino)-4-pyridinyl]methanol
CID 114920176
N-ethyl-N-(2-methylpropyl)-5-[(propan-2-ylamino)methyl]pyrazin-2-amine
CID 107379098

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-ethyl-N-(2-methylpropyl)-4-[(2-methylpropylamino)methyl]pyridin-2-amine?
The IUPAC name of 5-chloro-N-ethyl-N-(2-methylpropyl)-4-[(2-methylpropylamino)methyl]pyridin-2-amine (CID 114925419) is 5-chloro-N-ethyl-N-(2-methylpropyl)-4-[(2-methylpropylamino)methyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-N-ethyl-N-(2-methylpropyl)-4-[(2-methylpropylamino)methyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-N-ethyl-N-(2-methylpropyl)-4-[(2-methylpropylamino)methyl]pyridin-2-amine is CCN(CC(C)C)c1cc(CNCC(C)C)c(Cl)cn1.
What is the InChIKey of 5-chloro-N-ethyl-N-(2-methylpropyl)-4-[(2-methylpropylamino)methyl]pyridin-2-amine?
The InChIKey is LXVVEVOUWNNVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28ClN3/c1-6-20(11-13(4)5)16-7-14(15(17)10-19-16)9-18-8-12(2)3/h7,10,12-13,18H,6,8-9,11H2,1-5H3.
What are the key properties of 5-chloro-N-ethyl-N-(2-methylpropyl)-4-[(2-methylpropylamino)methyl]pyridin-2-amine?
5-chloro-N-ethyl-N-(2-methylpropyl)-4-[(2-methylpropylamino)methyl]pyridin-2-amine has a molecular weight of 297.87 g/mol, XLogP of 3.96, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-ethyl-N-(2-methylpropyl)-4-[(2-methylpropylamino)methyl]pyridin-2-amine is sourced from PubChem (CID 114925419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).