4-(prop-1-en-2-ylamino)cyclohexan-1-ol

C9H17NO — CID 126639819

IUPAC4-(prop-1-en-2-ylamino)cyclohexan-1-ol
SMILESC=C(C)NC1CCC(O)CC1
InChIInChI=1S/C9H17NO/c1-7(2)10-8-3-5-9(11)6-4-8/h8-11H,1,3-6H2,2H3
InChIKeyOBBLBYNQPGSPSA-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.41
Rot. Bonds2

About 4-(prop-1-en-2-ylamino)cyclohexan-1-ol

4-(prop-1-en-2-ylamino)cyclohexan-1-ol (PubChem CID 126639819) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 4-(prop-1-en-2-ylamino)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(prop-1-en-2-ylamino)cyclohexan-1-ol
PubChem CID126639819
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name4-(prop-1-en-2-ylamino)cyclohexan-1-ol
SMILESC=C(C)NC1CCC(O)CC1
InChIInChI=1S/C9H17NO/c1-7(2)10-8-3-5-9(11)6-4-8/h8-11H,1,3-6H2,2H3
InChIKeyOBBLBYNQPGSPSA-UHFFFAOYSA-N
XLogP1.41
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(prop-1-en-2-ylamino)cyclohexan-1-ol?
The IUPAC name of 4-(prop-1-en-2-ylamino)cyclohexan-1-ol (CID 126639819) is 4-(prop-1-en-2-ylamino)cyclohexan-1-ol.
What is the SMILES notation for 4-(prop-1-en-2-ylamino)cyclohexan-1-ol?
The canonical SMILES for 4-(prop-1-en-2-ylamino)cyclohexan-1-ol is C=C(C)NC1CCC(O)CC1.
What is the InChIKey of 4-(prop-1-en-2-ylamino)cyclohexan-1-ol?
The InChIKey is OBBLBYNQPGSPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-7(2)10-8-3-5-9(11)6-4-8/h8-11H,1,3-6H2,2H3.
What are the key properties of 4-(prop-1-en-2-ylamino)cyclohexan-1-ol?
4-(prop-1-en-2-ylamino)cyclohexan-1-ol has a molecular weight of 155.24 g/mol, XLogP of 1.41, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(prop-1-en-2-ylamino)cyclohexan-1-ol is sourced from PubChem (CID 126639819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).