10,18-diaminooctadecan-9-ol

C18H40N2O — CID 19842914

IUPAC10,18-diaminooctadecan-9-ol
SMILESCCCCCCCCC(O)C(N)CCCCCCCCN
InChIInChI=1S/C18H40N2O/c1-2-3-4-5-9-12-15-18(21)17(20)14-11-8-6-7-10-13-16-19/h17-18,21H,2-16,19-20H2,1H3
InChIKeyJCJTUFROVQWBSR-UHFFFAOYSA-N
MW300.53 g/mol
LogP4.11
Rot. Bonds16

About 10,18-diaminooctadecan-9-ol

10,18-diaminooctadecan-9-ol (PubChem CID 19842914) has the molecular formula C18H40N2O and a molecular weight of 300.53 g/mol. Its IUPAC name is 10,18-diaminooctadecan-9-ol.

Molecular Properties

Compound Name10,18-diaminooctadecan-9-ol
PubChem CID19842914
Molecular FormulaC18H40N2O
Molecular Weight300.53 g/mol
Exact Mass300.31
IUPAC Name10,18-diaminooctadecan-9-ol
SMILESCCCCCCCCC(O)C(N)CCCCCCCCN
InChIInChI=1S/C18H40N2O/c1-2-3-4-5-9-12-15-18(21)17(20)14-11-8-6-7-10-13-16-19/h17-18,21H,2-16,19-20H2,1H3
InChIKeyJCJTUFROVQWBSR-UHFFFAOYSA-N
XLogP4.11
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.53
LogP ≤ 54.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

13-aminoheptacosan-12-ol
CID 118194809
(4S,5S)-4-aminotridecan-5-ol
CID 10584805
(2S)-2-aminopentadecane-1,3-diol
CID 71424335
2-aminopentadecane-1,3-diol
CID 56979816
(2S,3R)-2-aminodocosane-1,3-diol
CID 10247786
(2S,3S)-3-aminoheptadecane-1,2-diol
CID 10085469
3-aminononane-1,4-diol
CID 87704254
2-aminotetradecan-3-ol
CID 10198494
1-aminooctacosan-11-ol
CID 172994921
(2S,3S)-2-aminoundecan-3-ol
CID 132514193
undecane-1,6-diamine
CID 18419788
nonadecane-1,13-diamine
CID 102135569

Frequently Asked Questions

What is the IUPAC name of 10,18-diaminooctadecan-9-ol?
The IUPAC name of 10,18-diaminooctadecan-9-ol (CID 19842914) is 10,18-diaminooctadecan-9-ol.
What is the SMILES notation for 10,18-diaminooctadecan-9-ol?
The canonical SMILES for 10,18-diaminooctadecan-9-ol is CCCCCCCCC(O)C(N)CCCCCCCCN.
What is the InChIKey of 10,18-diaminooctadecan-9-ol?
The InChIKey is JCJTUFROVQWBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40N2O/c1-2-3-4-5-9-12-15-18(21)17(20)14-11-8-6-7-10-13-16-19/h17-18,21H,2-16,19-20H2,1H3.
What are the key properties of 10,18-diaminooctadecan-9-ol?
10,18-diaminooctadecan-9-ol has a molecular weight of 300.53 g/mol, XLogP of 4.11, 16 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10,18-diaminooctadecan-9-ol is sourced from PubChem (CID 19842914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).