1-(azacyclododec-1-yl)propan-2-ol

C14H29NO — CID 58868254

IUPAC1-(azacyclododec-1-yl)propan-2-ol
SMILESCC(O)CN1CCCCCCCCCCC1
InChIInChI=1S/C14H29NO/c1-14(16)13-15-11-9-7-5-3-2-4-6-8-10-12-15/h14,16H,2-13H2,1H3
InChIKeyKYXWBNHUNVYORJ-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.19
Rot. Bonds2

About 1-(azacyclododec-1-yl)propan-2-ol

1-(azacyclododec-1-yl)propan-2-ol (PubChem CID 58868254) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 1-(azacyclododec-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(azacyclododec-1-yl)propan-2-ol
PubChem CID58868254
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name1-(azacyclododec-1-yl)propan-2-ol
SMILESCC(O)CN1CCCCCCCCCCC1
InChIInChI=1S/C14H29NO/c1-14(16)13-15-11-9-7-5-3-2-4-6-8-10-12-15/h14,16H,2-13H2,1H3
InChIKeyKYXWBNHUNVYORJ-UHFFFAOYSA-N
XLogP3.19
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4,7-bis(2-hydroxypropyl)-1,4,7-triazonan-1-yl]propan-2-ol
CID 4961557
(2S)-1-[4,7-bis[(2S)-2-hydroxypropyl]-1,4,7-triazonan-1-yl]propan-2-ol
CID 10935575
iron(3+);(2S)-1-[4,7,10-tris[(2S)-2-hydroxypropyl]-1,4,7,10-tetrazacyclododec-1-yl]propan-2-ol
CID 164850270
(2S)-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-ol
CID 103934988
1-[10-(2-hydroxypropyl)-1,4,7,10-tetrazabicyclo[5.5.2]tetradecan-4-yl]propan-2-ol
CID 18413085
1-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrrolidine
CID 159983719
1-(azonan-1-yl)butan-2-ol
CID 130671766
2-[4,8-bis(carboxymethyl)-11-(2-hydroxypropyl)-1,4,8,11-tetrazacyclotetradec-1-yl]acetic acid
CID 91490050
1-(3,3-dimethylazepan-1-yl)propan-2-ol
CID 131175747
1,3-dipyrrolidin-1-ylpropan-2-ol
CID 57126359
(2S)-1-(azepan-1-yl)-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]propan-1-one
CID 95320713
cyclohexyl-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
CID 82120186

Frequently Asked Questions

What is the IUPAC name of 1-(azacyclododec-1-yl)propan-2-ol?
The IUPAC name of 1-(azacyclododec-1-yl)propan-2-ol (CID 58868254) is 1-(azacyclododec-1-yl)propan-2-ol.
What is the SMILES notation for 1-(azacyclododec-1-yl)propan-2-ol?
The canonical SMILES for 1-(azacyclododec-1-yl)propan-2-ol is CC(O)CN1CCCCCCCCCCC1.
What is the InChIKey of 1-(azacyclododec-1-yl)propan-2-ol?
The InChIKey is KYXWBNHUNVYORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-14(16)13-15-11-9-7-5-3-2-4-6-8-10-12-15/h14,16H,2-13H2,1H3.
What are the key properties of 1-(azacyclododec-1-yl)propan-2-ol?
1-(azacyclododec-1-yl)propan-2-ol has a molecular weight of 227.39 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azacyclododec-1-yl)propan-2-ol is sourced from PubChem (CID 58868254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).