(1-anilino-4-tert-butylcycloheptyl)methanol

C18H29NO — CID 65094624

IUPAC(1-anilino-4-tert-butylcycloheptyl)methanol
SMILESCC(C)(C)C1CCCC(CO)(Nc2ccccc2)CC1
InChIInChI=1S/C18H29NO/c1-17(2,3)15-8-7-12-18(14-20,13-11-15)19-16-9-5-4-6-10-16/h4-6,9-10,15,19-20H,7-8,11-14H2,1-3H3
InChIKeyOECOVHCGVQJNHM-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.46
Rot. Bonds3

About (1-anilino-4-tert-butylcycloheptyl)methanol

(1-anilino-4-tert-butylcycloheptyl)methanol (PubChem CID 65094624) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is (1-anilino-4-tert-butylcycloheptyl)methanol.

Molecular Properties

Compound Name(1-anilino-4-tert-butylcycloheptyl)methanol
PubChem CID65094624
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name(1-anilino-4-tert-butylcycloheptyl)methanol
SMILESCC(C)(C)C1CCCC(CO)(Nc2ccccc2)CC1
InChIInChI=1S/C18H29NO/c1-17(2,3)15-8-7-12-18(14-20,13-11-15)19-16-9-5-4-6-10-16/h4-6,9-10,15,19-20H,7-8,11-14H2,1-3H3
InChIKeyOECOVHCGVQJNHM-UHFFFAOYSA-N
XLogP4.46
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-anilino-4-(2-methylbutan-2-yl)cyclohexyl]methanol
CID 63428039
(1-anilino-4-propan-2-ylcycloheptyl)methanol
CID 65090420
1-anilino-4-tert-butylcycloheptane-1-carboxylic acid
CID 65095079
(1-anilino-4-phenylcyclohexyl)methanol
CID 61046248
[1-(4-methylanilino)cycloheptyl]methanol
CID 61044779
(1-anilino-2-tert-butylcyclohexyl)methanol
CID 61046415
4-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]benzonitrile
CID 62525674
N-[1-(aminomethyl)-4-tert-butylcyclohexyl]-4-bromoaniline
CID 65385986
[1-(4-methylanilino)-4-propan-2-ylcyclohexyl]methanol
CID 62704125
N-[1-(aminomethyl)-4-tert-butylcyclohexyl]-3-chloroaniline
CID 65384868
[1-(benzylamino)-4-methylcycloheptyl]methanol
CID 65085339
[1-(2-bromoanilino)-4-propylcycloheptyl]methanol
CID 65090775

Frequently Asked Questions

What is the IUPAC name of (1-anilino-4-tert-butylcycloheptyl)methanol?
The IUPAC name of (1-anilino-4-tert-butylcycloheptyl)methanol (CID 65094624) is (1-anilino-4-tert-butylcycloheptyl)methanol.
What is the SMILES notation for (1-anilino-4-tert-butylcycloheptyl)methanol?
The canonical SMILES for (1-anilino-4-tert-butylcycloheptyl)methanol is CC(C)(C)C1CCCC(CO)(Nc2ccccc2)CC1.
What is the InChIKey of (1-anilino-4-tert-butylcycloheptyl)methanol?
The InChIKey is OECOVHCGVQJNHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-17(2,3)15-8-7-12-18(14-20,13-11-15)19-16-9-5-4-6-10-16/h4-6,9-10,15,19-20H,7-8,11-14H2,1-3H3.
What are the key properties of (1-anilino-4-tert-butylcycloheptyl)methanol?
(1-anilino-4-tert-butylcycloheptyl)methanol has a molecular weight of 275.44 g/mol, XLogP of 4.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-anilino-4-tert-butylcycloheptyl)methanol is sourced from PubChem (CID 65094624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).