2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]butan-1-ol

C15H31NO — CID 43079522

IUPAC2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]butan-1-ol
SMILESCCC(CO)NC1CCC(C(C)(C)CC)CC1
InChIInChI=1S/C15H31NO/c1-5-13(11-17)16-14-9-7-12(8-10-14)15(3,4)6-2/h12-14,16-17H,5-11H2,1-4H3
InChIKeyKABFARFULFSHID-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.34
Rot. Bonds6

About 2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]butan-1-ol

2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]butan-1-ol (PubChem CID 43079522) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]butan-1-ol.

Molecular Properties

Compound Name2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]butan-1-ol
PubChem CID43079522
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]butan-1-ol
SMILESCCC(CO)NC1CCC(C(C)(C)CC)CC1
InChIInChI=1S/C15H31NO/c1-5-13(11-17)16-14-9-7-12(8-10-14)15(3,4)6-2/h12-14,16-17H,5-11H2,1-4H3
InChIKeyKABFARFULFSHID-UHFFFAOYSA-N
XLogP3.34
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]butan-1-ol?
The IUPAC name of 2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]butan-1-ol (CID 43079522) is 2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]butan-1-ol.
What is the SMILES notation for 2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]butan-1-ol?
The canonical SMILES for 2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]butan-1-ol is CCC(CO)NC1CCC(C(C)(C)CC)CC1.
What is the InChIKey of 2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]butan-1-ol?
The InChIKey is KABFARFULFSHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-5-13(11-17)16-14-9-7-12(8-10-14)15(3,4)6-2/h12-14,16-17H,5-11H2,1-4H3.
What are the key properties of 2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]butan-1-ol?
2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]butan-1-ol has a molecular weight of 241.42 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]butan-1-ol is sourced from PubChem (CID 43079522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).