17-(aminomethyl)tritriacontan-17-ol

C34H71NO — CID 87248679

IUPAC17-(aminomethyl)tritriacontan-17-ol
SMILESCCCCCCCCCCCCCCCCC(O)(CN)CCCCCCCCCCCCCCCC
InChIInChI=1S/C34H71NO/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-34(36,33-35)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h36H,3-33,35H2,1-2H3
InChIKeyXZLNRFUMTPXKFP-UHFFFAOYSA-N
MW509.95 g/mol
LogP11.42
Rot. Bonds31

About 17-(aminomethyl)tritriacontan-17-ol

17-(aminomethyl)tritriacontan-17-ol (PubChem CID 87248679) has the molecular formula C34H71NO and a molecular weight of 509.95 g/mol. Its IUPAC name is 17-(aminomethyl)tritriacontan-17-ol.

Molecular Properties

Compound Name17-(aminomethyl)tritriacontan-17-ol
PubChem CID87248679
Molecular FormulaC34H71NO
Molecular Weight509.95 g/mol
Exact Mass509.55
IUPAC Name17-(aminomethyl)tritriacontan-17-ol
SMILESCCCCCCCCCCCCCCCCC(O)(CN)CCCCCCCCCCCCCCCC
InChIInChI=1S/C34H71NO/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-34(36,33-35)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h36H,3-33,35H2,1-2H3
InChIKeyXZLNRFUMTPXKFP-UHFFFAOYSA-N
XLogP11.42
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds31
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.95
LogP ≤ 511.42
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

3-(aminomethyl)tridecane-1,3-diol
CID 174422631
7-hexylhexadecan-7-ol
CID 141253911
9-octyloctadecan-9-ol
CID 150674168
7-pentylpentadecan-7-ol
CID 12913436
1-amino-3-(aminomethyl)heptan-3-ol
CID 141174970
1-aminooctadecane-2,2-diol
CID 87604063
9-ethylheptadecan-9-ol
CID 86166082
2-butyltetradecane-1,2-diol
CID 88924076
2-propyloctane-1,2-diol
CID 88923937
4-decyltetradecane-1,4-diol
CID 170650453
2-(aminomethyl)-2-octylpropane-1,3-diamine
CID 13067190
1-aminoundecane-1,1-diol
CID 21111671

Frequently Asked Questions

What is the IUPAC name of 17-(aminomethyl)tritriacontan-17-ol?
The IUPAC name of 17-(aminomethyl)tritriacontan-17-ol (CID 87248679) is 17-(aminomethyl)tritriacontan-17-ol.
What is the SMILES notation for 17-(aminomethyl)tritriacontan-17-ol?
The canonical SMILES for 17-(aminomethyl)tritriacontan-17-ol is CCCCCCCCCCCCCCCCC(O)(CN)CCCCCCCCCCCCCCCC.
What is the InChIKey of 17-(aminomethyl)tritriacontan-17-ol?
The InChIKey is XZLNRFUMTPXKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H71NO/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-34(36,33-35)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h36H,3-33,35H2,1-2H3.
What are the key properties of 17-(aminomethyl)tritriacontan-17-ol?
17-(aminomethyl)tritriacontan-17-ol has a molecular weight of 509.95 g/mol, XLogP of 11.42, 31 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 17-(aminomethyl)tritriacontan-17-ol is sourced from PubChem (CID 87248679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).