1-[2-[butan-2-yl(ethyl)amino]ethyl]cyclohexan-1-amine

C14H30N2 — CID 64676910

IUPAC1-[2-[butan-2-yl(ethyl)amino]ethyl]cyclohexan-1-amine
SMILESCCC(C)N(CC)CCC1(N)CCCCC1
InChIInChI=1S/C14H30N2/c1-4-13(3)16(5-2)12-11-14(15)9-7-6-8-10-14/h13H,4-12,15H2,1-3H3
InChIKeyCZIJUCNCZXPSLD-UHFFFAOYSA-N
MW226.41 g/mol
LogP3.16
Rot. Bonds6

About 1-[2-[butan-2-yl(ethyl)amino]ethyl]cyclohexan-1-amine

1-[2-[butan-2-yl(ethyl)amino]ethyl]cyclohexan-1-amine (PubChem CID 64676910) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 1-[2-[butan-2-yl(ethyl)amino]ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[2-[butan-2-yl(ethyl)amino]ethyl]cyclohexan-1-amine
PubChem CID64676910
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name1-[2-[butan-2-yl(ethyl)amino]ethyl]cyclohexan-1-amine
SMILESCCC(C)N(CC)CCC1(N)CCCCC1
InChIInChI=1S/C14H30N2/c1-4-13(3)16(5-2)12-11-14(15)9-7-6-8-10-14/h13H,4-12,15H2,1-3H3
InChIKeyCZIJUCNCZXPSLD-UHFFFAOYSA-N
XLogP3.16
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[butan-2-yl(ethyl)amino]ethyl]cyclohexan-1-amine?
The IUPAC name of 1-[2-[butan-2-yl(ethyl)amino]ethyl]cyclohexan-1-amine (CID 64676910) is 1-[2-[butan-2-yl(ethyl)amino]ethyl]cyclohexan-1-amine.
What is the SMILES notation for 1-[2-[butan-2-yl(ethyl)amino]ethyl]cyclohexan-1-amine?
The canonical SMILES for 1-[2-[butan-2-yl(ethyl)amino]ethyl]cyclohexan-1-amine is CCC(C)N(CC)CCC1(N)CCCCC1.
What is the InChIKey of 1-[2-[butan-2-yl(ethyl)amino]ethyl]cyclohexan-1-amine?
The InChIKey is CZIJUCNCZXPSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-4-13(3)16(5-2)12-11-14(15)9-7-6-8-10-14/h13H,4-12,15H2,1-3H3.
What are the key properties of 1-[2-[butan-2-yl(ethyl)amino]ethyl]cyclohexan-1-amine?
1-[2-[butan-2-yl(ethyl)amino]ethyl]cyclohexan-1-amine has a molecular weight of 226.41 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[butan-2-yl(ethyl)amino]ethyl]cyclohexan-1-amine is sourced from PubChem (CID 64676910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).