5-(2-aminoethyl)-N-benzyl-N-propan-2-ylpyridin-2-amine

C17H23N3 — CID 80633350

IUPAC5-(2-aminoethyl)-N-benzyl-N-propan-2-ylpyridin-2-amine
SMILESCC(C)N(Cc1ccccc1)c1ccc(CCN)cn1
InChIInChI=1S/C17H23N3/c1-14(2)20(13-16-6-4-3-5-7-16)17-9-8-15(10-11-18)12-19-17/h3-9,12,14H,10-11,13,18H2,1-2H3
InChIKeyRCLQMQXPGOTQKE-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.00
Rot. Bonds6

About 5-(2-aminoethyl)-N-benzyl-N-propan-2-ylpyridin-2-amine

5-(2-aminoethyl)-N-benzyl-N-propan-2-ylpyridin-2-amine (PubChem CID 80633350) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 5-(2-aminoethyl)-N-benzyl-N-propan-2-ylpyridin-2-amine.

Molecular Properties

Compound Name5-(2-aminoethyl)-N-benzyl-N-propan-2-ylpyridin-2-amine
PubChem CID80633350
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name5-(2-aminoethyl)-N-benzyl-N-propan-2-ylpyridin-2-amine
SMILESCC(C)N(Cc1ccccc1)c1ccc(CCN)cn1
InChIInChI=1S/C17H23N3/c1-14(2)20(13-16-6-4-3-5-7-16)17-9-8-15(10-11-18)12-19-17/h3-9,12,14H,10-11,13,18H2,1-2H3
InChIKeyRCLQMQXPGOTQKE-UHFFFAOYSA-N
XLogP3.00
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-aminoethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 80634373
5-(2-aminoethyl)-N-methyl-N-phenylpyridin-2-amine
CID 80633207
2-(6-benzyl-3-pyridinyl)ethanamine
CID 117001758
N-[6-[benzyl(propan-2-yl)amino]-3-pyridinyl]acetamide
CID 113014989
5-(2-aminoethyl)-N-butan-2-yl-N-methylpyridin-2-amine
CID 80633431
N-[6-[benzyl(propan-2-yl)amino]-3-pyridinyl]-2-methylpropanamide
CID 113014992
N-[6-[benzyl(propan-2-yl)amino]-3-pyridinyl]-2-phenylacetamide
CID 113015015
4-(aminomethyl)-N-benzyl-2,6-difluoro-N-propan-2-ylaniline
CID 63050914
2-N-benzyl-2-N-propan-2-ylpyrimidine-2,5-diamine
CID 61145774
N-benzyl-6-(chloromethyl)-N-propan-2-ylpyridazin-3-amine
CID 61255095
N-(2-aminoethyl)-6-[ethyl(propan-2-yl)amino]-N-(2-phenylethyl)pyridine-3-carboxamide;dihydrochloride
CID 120886727
6-[benzyl(propan-2-yl)amino]-N-butyl-N-methylpyridine-3-carboxamide
CID 109161088

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-N-benzyl-N-propan-2-ylpyridin-2-amine?
The IUPAC name of 5-(2-aminoethyl)-N-benzyl-N-propan-2-ylpyridin-2-amine (CID 80633350) is 5-(2-aminoethyl)-N-benzyl-N-propan-2-ylpyridin-2-amine.
What is the SMILES notation for 5-(2-aminoethyl)-N-benzyl-N-propan-2-ylpyridin-2-amine?
The canonical SMILES for 5-(2-aminoethyl)-N-benzyl-N-propan-2-ylpyridin-2-amine is CC(C)N(Cc1ccccc1)c1ccc(CCN)cn1.
What is the InChIKey of 5-(2-aminoethyl)-N-benzyl-N-propan-2-ylpyridin-2-amine?
The InChIKey is RCLQMQXPGOTQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-14(2)20(13-16-6-4-3-5-7-16)17-9-8-15(10-11-18)12-19-17/h3-9,12,14H,10-11,13,18H2,1-2H3.
What are the key properties of 5-(2-aminoethyl)-N-benzyl-N-propan-2-ylpyridin-2-amine?
5-(2-aminoethyl)-N-benzyl-N-propan-2-ylpyridin-2-amine has a molecular weight of 269.39 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-N-benzyl-N-propan-2-ylpyridin-2-amine is sourced from PubChem (CID 80633350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).