4-(3,5-diaminododecoxy)cyclohexan-1-ol

C18H38N2O2 — CID 141135323

IUPAC4-(3,5-diaminododecoxy)cyclohexan-1-ol
SMILESCCCCCCCC(N)CC(N)CCOC1CCC(O)CC1
InChIInChI=1S/C18H38N2O2/c1-2-3-4-5-6-7-15(19)14-16(20)12-13-22-18-10-8-17(21)9-11-18/h15-18,21H,2-14,19-20H2,1H3
InChIKeyMWKSKKCYOCDGMD-UHFFFAOYSA-N
MW314.51 g/mol
LogP3.10
Rot. Bonds12

About 4-(3,5-diaminododecoxy)cyclohexan-1-ol

4-(3,5-diaminododecoxy)cyclohexan-1-ol (PubChem CID 141135323) has the molecular formula C18H38N2O2 and a molecular weight of 314.51 g/mol. Its IUPAC name is 4-(3,5-diaminododecoxy)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(3,5-diaminododecoxy)cyclohexan-1-ol
PubChem CID141135323
Molecular FormulaC18H38N2O2
Molecular Weight314.51 g/mol
Exact Mass314.29
IUPAC Name4-(3,5-diaminododecoxy)cyclohexan-1-ol
SMILESCCCCCCCC(N)CC(N)CCOC1CCC(O)CC1
InChIInChI=1S/C18H38N2O2/c1-2-3-4-5-6-7-15(19)14-16(20)12-13-22-18-10-8-17(21)9-11-18/h15-18,21H,2-14,19-20H2,1H3
InChIKeyMWKSKKCYOCDGMD-UHFFFAOYSA-N
XLogP3.10
TPSA81.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.51
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R)-1-cyclopropyloxy-5-methylhexan-3-amine
CID 177282057
heptoxycyclopropane
CID 54099544
hexadecane-3,5-diamine
CID 175043722
(4R)-2-methyldecan-4-amine
CID 14572815
4-[1-(4-hydroxycyclohexyl)decyl]cyclohexan-1-ol
CID 150695272
1-ethoxynonan-4-amine
CID 105129941
10-butoxycyclooctadecan-1-ol
CID 91298202
(4R)-2-methylnonan-4-amine;hydrochloride
CID 14572809
1-ethoxy-4-hexoxycyclohexane
CID 147022477
1-(3-aminoheptadecoxy)heptadecan-3-amine
CID 141308840
1-(3-aminoundecoxy)undecan-3-amine
CID 141300494
3-aminodocosane-1,1-diol
CID 141352297

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-diaminododecoxy)cyclohexan-1-ol?
The IUPAC name of 4-(3,5-diaminododecoxy)cyclohexan-1-ol (CID 141135323) is 4-(3,5-diaminododecoxy)cyclohexan-1-ol.
What is the SMILES notation for 4-(3,5-diaminododecoxy)cyclohexan-1-ol?
The canonical SMILES for 4-(3,5-diaminododecoxy)cyclohexan-1-ol is CCCCCCCC(N)CC(N)CCOC1CCC(O)CC1.
What is the InChIKey of 4-(3,5-diaminododecoxy)cyclohexan-1-ol?
The InChIKey is MWKSKKCYOCDGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2O2/c1-2-3-4-5-6-7-15(19)14-16(20)12-13-22-18-10-8-17(21)9-11-18/h15-18,21H,2-14,19-20H2,1H3.
What are the key properties of 4-(3,5-diaminododecoxy)cyclohexan-1-ol?
4-(3,5-diaminododecoxy)cyclohexan-1-ol has a molecular weight of 314.51 g/mol, XLogP of 3.10, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-diaminododecoxy)cyclohexan-1-ol is sourced from PubChem (CID 141135323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).