5-[1-(3-methylbutylamino)ethyl]pyridin-2-amine

C12H21N3 — CID 69291107

IUPAC5-[1-(3-methylbutylamino)ethyl]pyridin-2-amine
SMILESCC(C)CCNC(C)c1ccc(N)nc1
InChIInChI=1S/C12H21N3/c1-9(2)6-7-14-10(3)11-4-5-12(13)15-8-11/h4-5,8-10,14H,6-7H2,1-3H3,(H2,13,15)
InChIKeyJVNXDESJXRSPDA-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.36
Rot. Bonds5

About 5-[1-(3-methylbutylamino)ethyl]pyridin-2-amine

5-[1-(3-methylbutylamino)ethyl]pyridin-2-amine (PubChem CID 69291107) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 5-[1-(3-methylbutylamino)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name5-[1-(3-methylbutylamino)ethyl]pyridin-2-amine
PubChem CID69291107
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name5-[1-(3-methylbutylamino)ethyl]pyridin-2-amine
SMILESCC(C)CCNC(C)c1ccc(N)nc1
InChIInChI=1S/C12H21N3/c1-9(2)6-7-14-10(3)11-4-5-12(13)15-8-11/h4-5,8-10,14H,6-7H2,1-3H3,(H2,13,15)
InChIKeyJVNXDESJXRSPDA-UHFFFAOYSA-N
XLogP2.36
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[1-(cyclohexylmethylamino)ethyl]pyridin-2-amine
CID 155167486
N-[1-(6-chloro-3-pyridinyl)ethyl]-4-methylpentan-1-amine
CID 115776708
5-N-(4-methylpentyl)pyridine-2,5-diamine
CID 63004274
5-[(1S)-1-aminopropyl]pyridin-2-amine
CID 124502752
3-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]butan-1-amine
CID 43193079
5-N-(7-methyloctyl)pyridine-2,5-diamine
CID 107814726
1-(6-amino-3-pyridinyl)ethanol;hydrobromide
CID 142775788
5-[(1S)-1-amino-2-methylpropyl]pyridin-2-amine
CID 130619060
5-(4-methylpentylsulfanyl)pyridin-2-amine
CID 83158550
5-N-hexan-2-ylpyridine-2,5-diamine
CID 62198332
5-[4-(4-aminophenyl)pentan-2-yl]pyridin-2-amine
CID 167152112
3-(6-amino-3-pyridinyl)pentane-1,5-diol
CID 118045558

Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-methylbutylamino)ethyl]pyridin-2-amine?
The IUPAC name of 5-[1-(3-methylbutylamino)ethyl]pyridin-2-amine (CID 69291107) is 5-[1-(3-methylbutylamino)ethyl]pyridin-2-amine.
What is the SMILES notation for 5-[1-(3-methylbutylamino)ethyl]pyridin-2-amine?
The canonical SMILES for 5-[1-(3-methylbutylamino)ethyl]pyridin-2-amine is CC(C)CCNC(C)c1ccc(N)nc1.
What is the InChIKey of 5-[1-(3-methylbutylamino)ethyl]pyridin-2-amine?
The InChIKey is JVNXDESJXRSPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-9(2)6-7-14-10(3)11-4-5-12(13)15-8-11/h4-5,8-10,14H,6-7H2,1-3H3,(H2,13,15).
What are the key properties of 5-[1-(3-methylbutylamino)ethyl]pyridin-2-amine?
5-[1-(3-methylbutylamino)ethyl]pyridin-2-amine has a molecular weight of 207.32 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-methylbutylamino)ethyl]pyridin-2-amine is sourced from PubChem (CID 69291107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).