4-butan-2-yloxycyclohexan-1-amine

C10H21NO — CID 62808115

IUPAC4-butan-2-yloxycyclohexan-1-amine
SMILESCCC(C)OC1CCC(N)CC1
InChIInChI=1S/C10H21NO/c1-3-8(2)12-10-6-4-9(11)5-7-10/h8-10H,3-7,11H2,1-2H3
InChIKeyVOPANEZPWGBKLO-UHFFFAOYSA-N
MW171.28 g/mol
LogP2.07
Rot. Bonds3

About 4-butan-2-yloxycyclohexan-1-amine

4-butan-2-yloxycyclohexan-1-amine (PubChem CID 62808115) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 4-butan-2-yloxycyclohexan-1-amine.

Molecular Properties

Compound Name4-butan-2-yloxycyclohexan-1-amine
PubChem CID62808115
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name4-butan-2-yloxycyclohexan-1-amine
SMILESCCC(C)OC1CCC(N)CC1
InChIInChI=1S/C10H21NO/c1-3-8(2)12-10-6-4-9(11)5-7-10/h8-10H,3-7,11H2,1-2H3
InChIKeyVOPANEZPWGBKLO-UHFFFAOYSA-N
XLogP2.07
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yloxycyclohexan-1-amine?
The IUPAC name of 4-butan-2-yloxycyclohexan-1-amine (CID 62808115) is 4-butan-2-yloxycyclohexan-1-amine.
What is the SMILES notation for 4-butan-2-yloxycyclohexan-1-amine?
The canonical SMILES for 4-butan-2-yloxycyclohexan-1-amine is CCC(C)OC1CCC(N)CC1.
What is the InChIKey of 4-butan-2-yloxycyclohexan-1-amine?
The InChIKey is VOPANEZPWGBKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-3-8(2)12-10-6-4-9(11)5-7-10/h8-10H,3-7,11H2,1-2H3.
What are the key properties of 4-butan-2-yloxycyclohexan-1-amine?
4-butan-2-yloxycyclohexan-1-amine has a molecular weight of 171.28 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yloxycyclohexan-1-amine is sourced from PubChem (CID 62808115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).