cyclopropanamine;1-methoxyundecane-1,10-diol

C15H33NO3 — CID 143414663

IUPACcyclopropanamine;1-methoxyundecane-1,10-diol
SMILESCOC(O)CCCCCCCCC(C)O.NC1CC1
InChIInChI=1S/C12H26O3.C3H7N/c1-11(13)9-7-5-3-4-6-8-10-12(14)15-2;4-3-1-2-3/h11-14H,3-10H2,1-2H3;3H,1-2,4H2
InChIKeyBPTYQIYOWXJHAO-UHFFFAOYSA-N
MW275.43 g/mol
LogP2.56
Rot. Bonds10

About cyclopropanamine;1-methoxyundecane-1,10-diol

cyclopropanamine;1-methoxyundecane-1,10-diol (PubChem CID 143414663) has the molecular formula C15H33NO3 and a molecular weight of 275.43 g/mol. Its IUPAC name is cyclopropanamine;1-methoxyundecane-1,10-diol.

Molecular Properties

Compound Namecyclopropanamine;1-methoxyundecane-1,10-diol
PubChem CID143414663
Molecular FormulaC15H33NO3
Molecular Weight275.43 g/mol
Exact Mass275.25
IUPAC Namecyclopropanamine;1-methoxyundecane-1,10-diol
SMILESCOC(O)CCCCCCCCC(C)O.NC1CC1
InChIInChI=1S/C12H26O3.C3H7N/c1-11(13)9-7-5-3-4-6-8-10-12(14)15-2;4-3-1-2-3/h11-14H,3-10H2,1-2H3;3H,1-2,4H2
InChIKeyBPTYQIYOWXJHAO-UHFFFAOYSA-N
XLogP2.56
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.43
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-methoxyhenicosan-1-ol
CID 138403001
1-methoxydodecan-1-ol
CID 19981343
1-methoxytetradecan-1-ol
CID 19981330
6-methoxyhexane-1,1,6-triol
CID 155462430
1-methoxy-5-methylhexan-1-ol
CID 167712428
5-cyclopropylpentan-2-ol
CID 67118909
methane;7-methoxyheptan-2-ol
CID 158258066
(2R)-heptan-2-ol;methane;O-methylhydroxylamine
CID 142521484
6-[3-(methoxymethyl)pyrrolidin-1-yl]hexan-2-ol
CID 64597053
henicosane-1,20-diol
CID 86247204
hexadecane-1,15-diol
CID 53400630
(10S)-undecane-1,10-diol
CID 129382222

Frequently Asked Questions

What is the IUPAC name of cyclopropanamine;1-methoxyundecane-1,10-diol?
The IUPAC name of cyclopropanamine;1-methoxyundecane-1,10-diol (CID 143414663) is cyclopropanamine;1-methoxyundecane-1,10-diol.
What is the SMILES notation for cyclopropanamine;1-methoxyundecane-1,10-diol?
The canonical SMILES for cyclopropanamine;1-methoxyundecane-1,10-diol is COC(O)CCCCCCCCC(C)O.NC1CC1.
What is the InChIKey of cyclopropanamine;1-methoxyundecane-1,10-diol?
The InChIKey is BPTYQIYOWXJHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O3.C3H7N/c1-11(13)9-7-5-3-4-6-8-10-12(14)15-2;4-3-1-2-3/h11-14H,3-10H2,1-2H3;3H,1-2,4H2.
What are the key properties of cyclopropanamine;1-methoxyundecane-1,10-diol?
cyclopropanamine;1-methoxyundecane-1,10-diol has a molecular weight of 275.43 g/mol, XLogP of 2.56, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropanamine;1-methoxyundecane-1,10-diol is sourced from PubChem (CID 143414663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).