3-[(cyclododecylamino)methyl]pentan-3-ol

C18H37NO — CID 65105202

IUPAC3-[(cyclododecylamino)methyl]pentan-3-ol
SMILESCCC(O)(CC)CNC1CCCCCCCCCCC1
InChIInChI=1S/C18H37NO/c1-3-18(20,4-2)16-19-17-14-12-10-8-6-5-7-9-11-13-15-17/h17,19-20H,3-16H2,1-2H3
InChIKeyNKSPJVJMQIQVRW-UHFFFAOYSA-N
MW283.50 g/mol
LogP4.80
Rot. Bonds5

About 3-[(cyclododecylamino)methyl]pentan-3-ol

3-[(cyclododecylamino)methyl]pentan-3-ol (PubChem CID 65105202) has the molecular formula C18H37NO and a molecular weight of 283.50 g/mol. Its IUPAC name is 3-[(cyclododecylamino)methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[(cyclododecylamino)methyl]pentan-3-ol
PubChem CID65105202
Molecular FormulaC18H37NO
Molecular Weight283.50 g/mol
Exact Mass283.29
IUPAC Name3-[(cyclododecylamino)methyl]pentan-3-ol
SMILESCCC(O)(CC)CNC1CCCCCCCCCCC1
InChIInChI=1S/C18H37NO/c1-3-18(20,4-2)16-19-17-14-12-10-8-6-5-7-9-11-13-15-17/h17,19-20H,3-16H2,1-2H3
InChIKeyNKSPJVJMQIQVRW-UHFFFAOYSA-N
XLogP4.80
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.50
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[(cyclododecylamino)methyl]pentan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(cyclooctylamino)methyl]pentan-3-ol
CID 65108396
3-[[(4,4-dimethylcyclohexyl)amino]methyl]pentan-3-ol
CID 65105869
3-[[(4-propylcyclohexyl)amino]methyl]pentan-3-ol
CID 62060186
3-[[(4-tert-butylcyclohexyl)amino]methyl]pentan-3-ol
CID 65107819
2-(cyclopentylamino)-N-(2-ethyl-2-hydroxybutyl)acetamide
CID 65106565
2-[(2-ethyl-2-hydroxybutyl)amino]cyclohexan-1-ol
CID 65111156
1-(cycloheptylamino)-2,3-dimethylbutan-2-ol
CID 111118556
1-(cyclohexylamino)-2-cyclopropylpropan-2-ol
CID 82239509
N-(2,2-dimethylpropyl)cyclododecanamine
CID 63452276
2-cyclopentyl-1-(cyclopentylamino)propan-2-ol
CID 82239501
1-N-cycloheptyl-2-methylpentane-1,2-diamine
CID 61149614
N-(2-iodo-2-methylpropyl)cyclohexanamine
CID 121246583

Frequently Asked Questions

What is the IUPAC name of 3-[(cyclododecylamino)methyl]pentan-3-ol?
The IUPAC name of 3-[(cyclododecylamino)methyl]pentan-3-ol (CID 65105202) is 3-[(cyclododecylamino)methyl]pentan-3-ol.
What is the SMILES notation for 3-[(cyclododecylamino)methyl]pentan-3-ol?
The canonical SMILES for 3-[(cyclododecylamino)methyl]pentan-3-ol is CCC(O)(CC)CNC1CCCCCCCCCCC1.
What is the InChIKey of 3-[(cyclododecylamino)methyl]pentan-3-ol?
The InChIKey is NKSPJVJMQIQVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO/c1-3-18(20,4-2)16-19-17-14-12-10-8-6-5-7-9-11-13-15-17/h17,19-20H,3-16H2,1-2H3.
What are the key properties of 3-[(cyclododecylamino)methyl]pentan-3-ol?
3-[(cyclododecylamino)methyl]pentan-3-ol has a molecular weight of 283.50 g/mol, XLogP of 4.80, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(cyclododecylamino)methyl]pentan-3-ol is sourced from PubChem (CID 65105202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).