1-[1-(aminomethyl)-4-tert-butylcyclohexyl]octan-1-ol

C19H39NO — CID 79124774

IUPAC1-[1-(aminomethyl)-4-tert-butylcyclohexyl]octan-1-ol
SMILESCCCCCCCC(O)C1(CN)CCC(C(C)(C)C)CC1
InChIInChI=1S/C19H39NO/c1-5-6-7-8-9-10-17(21)19(15-20)13-11-16(12-14-19)18(2,3)4/h16-17,21H,5-15,20H2,1-4H3
InChIKeyZPMMDQNKVDEEPB-UHFFFAOYSA-N
MW297.53 g/mol
LogP4.89
Rot. Bonds8

About 1-[1-(aminomethyl)-4-tert-butylcyclohexyl]octan-1-ol

1-[1-(aminomethyl)-4-tert-butylcyclohexyl]octan-1-ol (PubChem CID 79124774) has the molecular formula C19H39NO and a molecular weight of 297.53 g/mol. Its IUPAC name is 1-[1-(aminomethyl)-4-tert-butylcyclohexyl]octan-1-ol.

Molecular Properties

Compound Name1-[1-(aminomethyl)-4-tert-butylcyclohexyl]octan-1-ol
PubChem CID79124774
Molecular FormulaC19H39NO
Molecular Weight297.53 g/mol
Exact Mass297.30
IUPAC Name1-[1-(aminomethyl)-4-tert-butylcyclohexyl]octan-1-ol
SMILESCCCCCCCC(O)C1(CN)CCC(C(C)(C)C)CC1
InChIInChI=1S/C19H39NO/c1-5-6-7-8-9-10-17(21)19(15-20)13-11-16(12-14-19)18(2,3)4/h16-17,21H,5-15,20H2,1-4H3
InChIKeyZPMMDQNKVDEEPB-UHFFFAOYSA-N
XLogP4.89
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.53
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[1-(aminomethyl)-4-tert-butylcyclohexyl]-2-methoxyethanol
CID 112752648
2-[1-(aminomethyl)-4-tert-butylcyclohexyl]-2-hydroxyacetic acid
CID 79123755
methyl 2-[1-(aminomethyl)-4-tert-butylcyclohexyl]-2-hydroxyacetate
CID 79123304
1-[1-(aminomethyl)-4-propylcyclohexyl]butan-1-ol
CID 79137820
(4-tert-butyl-1-octoxycyclohexyl)methanamine
CID 63475910
1-[3-(aminomethyl)oxolan-3-yl]heptan-1-ol
CID 79137738
1-(4-tert-butylcyclohexyl)heptan-1-ol
CID 65400919
1-[1-(aminomethyl)-4-methylcyclohexyl]-4-methylsulfanylbutan-1-ol
CID 103090561
1-(aminomethyl)-4-tert-butyl-N-pentyl-N-propan-2-ylcyclohexan-1-amine
CID 63471199
(1R)-1-[1-(aminomethyl)-3-methylcyclobutyl]pentan-1-ol
CID 97035451
[1-(aminomethyl)-4-methylcyclohexyl]-(4-tert-butylcyclohexyl)methanol
CID 104576136
1-[1-(aminomethyl)-4-methylcyclohexyl]-3-methoxy-3-methylbutan-1-ol
CID 106676604

Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)-4-tert-butylcyclohexyl]octan-1-ol?
The IUPAC name of 1-[1-(aminomethyl)-4-tert-butylcyclohexyl]octan-1-ol (CID 79124774) is 1-[1-(aminomethyl)-4-tert-butylcyclohexyl]octan-1-ol.
What is the SMILES notation for 1-[1-(aminomethyl)-4-tert-butylcyclohexyl]octan-1-ol?
The canonical SMILES for 1-[1-(aminomethyl)-4-tert-butylcyclohexyl]octan-1-ol is CCCCCCCC(O)C1(CN)CCC(C(C)(C)C)CC1.
What is the InChIKey of 1-[1-(aminomethyl)-4-tert-butylcyclohexyl]octan-1-ol?
The InChIKey is ZPMMDQNKVDEEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39NO/c1-5-6-7-8-9-10-17(21)19(15-20)13-11-16(12-14-19)18(2,3)4/h16-17,21H,5-15,20H2,1-4H3.
What are the key properties of 1-[1-(aminomethyl)-4-tert-butylcyclohexyl]octan-1-ol?
1-[1-(aminomethyl)-4-tert-butylcyclohexyl]octan-1-ol has a molecular weight of 297.53 g/mol, XLogP of 4.89, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)-4-tert-butylcyclohexyl]octan-1-ol is sourced from PubChem (CID 79124774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).