4-[(propan-2-ylamino)methyl]-4-(2-propan-2-yloxyethyl)cyclohexan-1-ol

C15H31NO2 — CID 112745404

IUPAC4-[(propan-2-ylamino)methyl]-4-(2-propan-2-yloxyethyl)cyclohexan-1-ol
SMILESCC(C)NCC1(CCOC(C)C)CCC(O)CC1
InChIInChI=1S/C15H31NO2/c1-12(2)16-11-15(9-10-18-13(3)4)7-5-14(17)6-8-15/h12-14,16-17H,5-11H2,1-4H3
InChIKeyWQZFQTSFWFCRIT-UHFFFAOYSA-N
MW257.42 g/mol
LogP2.72
Rot. Bonds7

About 4-[(propan-2-ylamino)methyl]-4-(2-propan-2-yloxyethyl)cyclohexan-1-ol

4-[(propan-2-ylamino)methyl]-4-(2-propan-2-yloxyethyl)cyclohexan-1-ol (PubChem CID 112745404) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is 4-[(propan-2-ylamino)methyl]-4-(2-propan-2-yloxyethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(propan-2-ylamino)methyl]-4-(2-propan-2-yloxyethyl)cyclohexan-1-ol
PubChem CID112745404
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Name4-[(propan-2-ylamino)methyl]-4-(2-propan-2-yloxyethyl)cyclohexan-1-ol
SMILESCC(C)NCC1(CCOC(C)C)CCC(O)CC1
InChIInChI=1S/C15H31NO2/c1-12(2)16-11-15(9-10-18-13(3)4)7-5-14(17)6-8-15/h12-14,16-17H,5-11H2,1-4H3
InChIKeyWQZFQTSFWFCRIT-UHFFFAOYSA-N
XLogP2.72
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[1-(2-propan-2-yloxyethyl)cyclohexyl]methanamine
CID 62725178
N-[[1-(2-butoxyethyl)cyclobutyl]methyl]propan-2-amine
CID 65194383
N-[[4-methyl-1-[[methyl(2-propan-2-yloxyethyl)amino]methyl]cyclohexyl]methyl]propan-2-amine
CID 81063355
N-[[4-butyl-1-(2-propan-2-yloxyethyl)cyclohexyl]methyl]ethanamine
CID 63522916
N-[[1-(2-propoxyethyl)cyclobutyl]methyl]propan-2-amine
CID 106456993
N-[[1-[2-(2-methylpropoxy)ethyl]cyclopropyl]methyl]propan-2-amine
CID 106457015
N-[[1-(2-ethoxyethyl)cyclohexyl]methyl]propan-2-amine
CID 62723573
N-[[4-(2-propan-2-yloxyethyl)oxan-4-yl]methyl]cyclopropanamine
CID 62905041
N-[[1-(3-methoxypropyl)cyclopropyl]methyl]propan-2-amine
CID 66024015
N-[(1-ethylcyclopropyl)methyl]propan-2-amine
CID 66026004
N-[[1-(2-phenoxyethyl)cyclopropyl]methyl]propan-2-amine
CID 66025781
N-[(1-dodecylcyclobutyl)methyl]propan-2-amine
CID 65194668

Frequently Asked Questions

What is the IUPAC name of 4-[(propan-2-ylamino)methyl]-4-(2-propan-2-yloxyethyl)cyclohexan-1-ol?
The IUPAC name of 4-[(propan-2-ylamino)methyl]-4-(2-propan-2-yloxyethyl)cyclohexan-1-ol (CID 112745404) is 4-[(propan-2-ylamino)methyl]-4-(2-propan-2-yloxyethyl)cyclohexan-1-ol.
What is the SMILES notation for 4-[(propan-2-ylamino)methyl]-4-(2-propan-2-yloxyethyl)cyclohexan-1-ol?
The canonical SMILES for 4-[(propan-2-ylamino)methyl]-4-(2-propan-2-yloxyethyl)cyclohexan-1-ol is CC(C)NCC1(CCOC(C)C)CCC(O)CC1.
What is the InChIKey of 4-[(propan-2-ylamino)methyl]-4-(2-propan-2-yloxyethyl)cyclohexan-1-ol?
The InChIKey is WQZFQTSFWFCRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-12(2)16-11-15(9-10-18-13(3)4)7-5-14(17)6-8-15/h12-14,16-17H,5-11H2,1-4H3.
What are the key properties of 4-[(propan-2-ylamino)methyl]-4-(2-propan-2-yloxyethyl)cyclohexan-1-ol?
4-[(propan-2-ylamino)methyl]-4-(2-propan-2-yloxyethyl)cyclohexan-1-ol has a molecular weight of 257.42 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(propan-2-ylamino)methyl]-4-(2-propan-2-yloxyethyl)cyclohexan-1-ol is sourced from PubChem (CID 112745404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).