2-(cyclododecylamino)propan-1-ol

C15H31NO — CID 43499740

IUPAC2-(cyclododecylamino)propan-1-ol
SMILESCC(CO)NC1CCCCCCCCCCC1
InChIInChI=1S/C15H31NO/c1-14(13-17)16-15-11-9-7-5-3-2-4-6-8-10-12-15/h14-17H,2-13H2,1H3
InChIKeyICCXZWOMYLEBMG-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.63
Rot. Bonds3

About 2-(cyclododecylamino)propan-1-ol

2-(cyclododecylamino)propan-1-ol (PubChem CID 43499740) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 2-(cyclododecylamino)propan-1-ol.

Molecular Properties

Compound Name2-(cyclododecylamino)propan-1-ol
PubChem CID43499740
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name2-(cyclododecylamino)propan-1-ol
SMILESCC(CO)NC1CCCCCCCCCCC1
InChIInChI=1S/C15H31NO/c1-14(13-17)16-15-11-9-7-5-3-2-4-6-8-10-12-15/h14-17H,2-13H2,1H3
InChIKeyICCXZWOMYLEBMG-UHFFFAOYSA-N
XLogP3.63
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[(4,4-dimethylcycloheptyl)amino]propan-1-ol
CID 114985646
N-cyclohexyl-4-(1-hydroxypropan-2-ylamino)piperidine-1-carboxamide
CID 50977190
(3R)-3-(cyclopentylamino)butan-1-ol
CID 103854696
2-(spiro[4.5]decan-8-ylamino)propan-1-ol
CID 114817249
(2S)-2-[[(1S,3S)-3-methylcyclohexyl]amino]propan-1-ol
CID 93082959
N-(4-methylpentan-2-yl)cyclohexanamine
CID 21355503
4-(cyclopentylamino)pentan-1-ol
CID 75356492
(4R)-4-(cyclopentylamino)pentan-1-ol
CID 97051526
2-[(1-ethylazepan-4-yl)amino]propan-1-ol
CID 65074145
2-[(3-cyclopropylcyclohexyl)amino]propan-1-ol
CID 64593901
2-[(2-cyclohexylcyclohexyl)amino]propan-1-ol
CID 43776368
N-pentan-2-ylcyclooctanamine
CID 43079432

Frequently Asked Questions

What is the IUPAC name of 2-(cyclododecylamino)propan-1-ol?
The IUPAC name of 2-(cyclododecylamino)propan-1-ol (CID 43499740) is 2-(cyclododecylamino)propan-1-ol.
What is the SMILES notation for 2-(cyclododecylamino)propan-1-ol?
The canonical SMILES for 2-(cyclododecylamino)propan-1-ol is CC(CO)NC1CCCCCCCCCCC1.
What is the InChIKey of 2-(cyclododecylamino)propan-1-ol?
The InChIKey is ICCXZWOMYLEBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-14(13-17)16-15-11-9-7-5-3-2-4-6-8-10-12-15/h14-17H,2-13H2,1H3.
What are the key properties of 2-(cyclododecylamino)propan-1-ol?
2-(cyclododecylamino)propan-1-ol has a molecular weight of 241.42 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclododecylamino)propan-1-ol is sourced from PubChem (CID 43499740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).