1-[(tert-butylamino)methyl]-3-cyclopropylcyclohexan-1-ol

C14H27NO — CID 64624059

IUPAC1-[(tert-butylamino)methyl]-3-cyclopropylcyclohexan-1-ol
SMILESCC(C)(C)NCC1(O)CCCC(C2CC2)C1
InChIInChI=1S/C14H27NO/c1-13(2,3)15-10-14(16)8-4-5-12(9-14)11-6-7-11/h11-12,15-16H,4-10H2,1-3H3
InChIKeyCNCIMVYIMXIRGJ-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.71
Rot. Bonds3

About 1-[(tert-butylamino)methyl]-3-cyclopropylcyclohexan-1-ol

1-[(tert-butylamino)methyl]-3-cyclopropylcyclohexan-1-ol (PubChem CID 64624059) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-[(tert-butylamino)methyl]-3-cyclopropylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(tert-butylamino)methyl]-3-cyclopropylcyclohexan-1-ol
PubChem CID64624059
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name1-[(tert-butylamino)methyl]-3-cyclopropylcyclohexan-1-ol
SMILESCC(C)(C)NCC1(O)CCCC(C2CC2)C1
InChIInChI=1S/C14H27NO/c1-13(2,3)15-10-14(16)8-4-5-12(9-14)11-6-7-11/h11-12,15-16H,4-10H2,1-3H3
InChIKeyCNCIMVYIMXIRGJ-UHFFFAOYSA-N
XLogP2.71
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(tert-butylamino)methyl]-3-cyclopropylcyclohexan-1-ol?
The IUPAC name of 1-[(tert-butylamino)methyl]-3-cyclopropylcyclohexan-1-ol (CID 64624059) is 1-[(tert-butylamino)methyl]-3-cyclopropylcyclohexan-1-ol.
What is the SMILES notation for 1-[(tert-butylamino)methyl]-3-cyclopropylcyclohexan-1-ol?
The canonical SMILES for 1-[(tert-butylamino)methyl]-3-cyclopropylcyclohexan-1-ol is CC(C)(C)NCC1(O)CCCC(C2CC2)C1.
What is the InChIKey of 1-[(tert-butylamino)methyl]-3-cyclopropylcyclohexan-1-ol?
The InChIKey is CNCIMVYIMXIRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-13(2,3)15-10-14(16)8-4-5-12(9-14)11-6-7-11/h11-12,15-16H,4-10H2,1-3H3.
What are the key properties of 1-[(tert-butylamino)methyl]-3-cyclopropylcyclohexan-1-ol?
1-[(tert-butylamino)methyl]-3-cyclopropylcyclohexan-1-ol has a molecular weight of 225.38 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(tert-butylamino)methyl]-3-cyclopropylcyclohexan-1-ol is sourced from PubChem (CID 64624059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).