N-[2-(azocan-1-yl)ethyl]propan-2-amine

C12H26N2 — CID 60841843

IUPACN-[2-(azocan-1-yl)ethyl]propan-2-amine
SMILESCC(C)NCCN1CCCCCCC1
InChIInChI=1S/C12H26N2/c1-12(2)13-8-11-14-9-6-4-3-5-7-10-14/h12-13H,3-11H2,1-2H3
InChIKeyWENXAWDUIXGUHS-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.25
Rot. Bonds4

About N-[2-(azocan-1-yl)ethyl]propan-2-amine

N-[2-(azocan-1-yl)ethyl]propan-2-amine (PubChem CID 60841843) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is N-[2-(azocan-1-yl)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(azocan-1-yl)ethyl]propan-2-amine
PubChem CID60841843
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC NameN-[2-(azocan-1-yl)ethyl]propan-2-amine
SMILESCC(C)NCCN1CCCCCCC1
InChIInChI=1S/C12H26N2/c1-12(2)13-8-11-14-9-6-4-3-5-7-10-14/h12-13H,3-11H2,1-2H3
InChIKeyWENXAWDUIXGUHS-UHFFFAOYSA-N
XLogP2.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-piperidin-1-ylethylamino)ethanethiol
CID 129067667
N-(2-pyrrolidin-1-ylethyl)butan-2-amine
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N-[2-[4-[2-(methylamino)ethyl]piperazin-1-yl]ethyl]propan-2-amine
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N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine;molecular hydrogen
CID 171627808
N-[2-(azocan-1-yl)ethyl]-1-cyclopropylethanamine
CID 62574708
2-N-(2-pyrrolidin-1-ylethyl)propane-1,2-diamine
CID 103387444
N-[2-(azepan-1-yl)ethyl]-1-cyclohexylethanamine
CID 61241929
N-[2-(azocan-1-yl)ethyl]-1-methoxypropan-2-amine
CID 62573966
2-(2-piperidin-1-ylethylamino)propanoic acid
CID 43467348
N-[2-(4-methylazepan-1-yl)ethyl]propan-2-amine
CID 63622599
N-[2-(azepan-1-yl)ethyl]-3-methoxybutan-2-amine
CID 115708434
N-(2-pyrrolidin-1-ylethyl)but-3-en-2-amine
CID 107906914

Frequently Asked Questions

What is the IUPAC name of N-[2-(azocan-1-yl)ethyl]propan-2-amine?
The IUPAC name of N-[2-(azocan-1-yl)ethyl]propan-2-amine (CID 60841843) is N-[2-(azocan-1-yl)ethyl]propan-2-amine.
What is the SMILES notation for N-[2-(azocan-1-yl)ethyl]propan-2-amine?
The canonical SMILES for N-[2-(azocan-1-yl)ethyl]propan-2-amine is CC(C)NCCN1CCCCCCC1.
What is the InChIKey of N-[2-(azocan-1-yl)ethyl]propan-2-amine?
The InChIKey is WENXAWDUIXGUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-12(2)13-8-11-14-9-6-4-3-5-7-10-14/h12-13H,3-11H2,1-2H3.
What are the key properties of N-[2-(azocan-1-yl)ethyl]propan-2-amine?
N-[2-(azocan-1-yl)ethyl]propan-2-amine has a molecular weight of 198.35 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azocan-1-yl)ethyl]propan-2-amine is sourced from PubChem (CID 60841843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).