3-chloro-5-(ethylaminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine

C16H28ClN3 — CID 102915300

IUPAC3-chloro-5-(ethylaminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine
SMILESCCNCc1cnc(NCC(C(C)C)C(C)C)c(Cl)c1
InChIInChI=1S/C16H28ClN3/c1-6-18-8-13-7-15(17)16(19-9-13)20-10-14(11(2)3)12(4)5/h7,9,11-12,14,18H,6,8,10H2,1-5H3,(H,19,20)
InChIKeyVMGFGKJLGYYLBF-UHFFFAOYSA-N
MW297.87 g/mol
LogP4.18
Rot. Bonds8

About 3-chloro-5-(ethylaminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine

3-chloro-5-(ethylaminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine (PubChem CID 102915300) has the molecular formula C16H28ClN3 and a molecular weight of 297.87 g/mol. Its IUPAC name is 3-chloro-5-(ethylaminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-5-(ethylaminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine
PubChem CID102915300
Molecular FormulaC16H28ClN3
Molecular Weight297.87 g/mol
Exact Mass297.20
IUPAC Name3-chloro-5-(ethylaminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine
SMILESCCNCc1cnc(NCC(C(C)C)C(C)C)c(Cl)c1
InChIInChI=1S/C16H28ClN3/c1-6-18-8-13-7-15(17)16(19-9-13)20-10-14(11(2)3)12(4)5/h7,9,11-12,14,18H,6,8,10H2,1-5H3,(H,19,20)
InChIKeyVMGFGKJLGYYLBF-UHFFFAOYSA-N
XLogP4.18
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.87
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-5-(methylaminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine
CID 102915299
[5-chloro-6-[(3-methyl-2-propan-2-ylbutyl)amino]-3-pyridinyl]methanol
CID 102915156
3-chloro-N-ethyl-5-(ethylaminomethyl)-N-(2-methylpropyl)pyridin-2-amine
CID 62279192
4-(ethylaminomethyl)-3-fluoro-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine
CID 102915247
N-[[5-chloro-6-(2-methylbutan-2-yloxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62292007
N-[[5-chloro-6-(2-methoxyethoxy)-3-pyridinyl]methyl]ethanamine
CID 62290358
3-chloro-5-(ethylaminomethyl)-N,N-dipropylpyridin-2-amine
CID 62284271
N'-[3-chloro-5-(ethylaminomethyl)-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63701057
2-(ethylaminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)pyridin-4-amine
CID 102915210
3-chloro-N-(cyclopropylmethyl)-5-(ethylaminomethyl)-N-propan-2-ylpyridin-2-amine
CID 62287460
3,5-difluoro-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine
CID 102913974
N-[(5-chloro-6-cyclobutyloxy-3-pyridinyl)methyl]ethanamine
CID 62286994

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(ethylaminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine?
The IUPAC name of 3-chloro-5-(ethylaminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine (CID 102915300) is 3-chloro-5-(ethylaminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine.
What is the SMILES notation for 3-chloro-5-(ethylaminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine?
The canonical SMILES for 3-chloro-5-(ethylaminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine is CCNCc1cnc(NCC(C(C)C)C(C)C)c(Cl)c1.
What is the InChIKey of 3-chloro-5-(ethylaminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine?
The InChIKey is VMGFGKJLGYYLBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28ClN3/c1-6-18-8-13-7-15(17)16(19-9-13)20-10-14(11(2)3)12(4)5/h7,9,11-12,14,18H,6,8,10H2,1-5H3,(H,19,20).
What are the key properties of 3-chloro-5-(ethylaminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine?
3-chloro-5-(ethylaminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine has a molecular weight of 297.87 g/mol, XLogP of 4.18, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(ethylaminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine is sourced from PubChem (CID 102915300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).