3-dodecoxy-1,2-dimethoxypropan-1-amine

C17H37NO3 — CID 54347264

IUPAC3-dodecoxy-1,2-dimethoxypropan-1-amine
SMILESCCCCCCCCCCCCOCC(OC)C(N)OC
InChIInChI=1S/C17H37NO3/c1-4-5-6-7-8-9-10-11-12-13-14-21-15-16(19-2)17(18)20-3/h16-17H,4-15,18H2,1-3H3
InChIKeyUDDYRLBSVSSLIP-UHFFFAOYSA-N
MW303.49 g/mol
LogP3.87
Rot. Bonds16

About 3-dodecoxy-1,2-dimethoxypropan-1-amine

3-dodecoxy-1,2-dimethoxypropan-1-amine (PubChem CID 54347264) has the molecular formula C17H37NO3 and a molecular weight of 303.49 g/mol. Its IUPAC name is 3-dodecoxy-1,2-dimethoxypropan-1-amine.

Molecular Properties

Compound Name3-dodecoxy-1,2-dimethoxypropan-1-amine
PubChem CID54347264
Molecular FormulaC17H37NO3
Molecular Weight303.49 g/mol
Exact Mass303.28
IUPAC Name3-dodecoxy-1,2-dimethoxypropan-1-amine
SMILESCCCCCCCCCCCCOCC(OC)C(N)OC
InChIInChI=1S/C17H37NO3/c1-4-5-6-7-8-9-10-11-12-13-14-21-15-16(19-2)17(18)20-3/h16-17H,4-15,18H2,1-3H3
InChIKeyUDDYRLBSVSSLIP-UHFFFAOYSA-N
XLogP3.87
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.49
LogP ≤ 53.87
H-Bond Donors ≤ 51
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-(3-hexoxy-2-methoxypropoxy)hexane
CID 163381100
3-hexadecoxy-2-methoxypropan-1-amine
CID 14992264
3-methoxy-3-methyl-1-octoxybutan-2-amine
CID 114228666
1-methoxy-3-pentoxypropan-2-amine
CID 107506771
1-heptoxypentan-2-amine
CID 62044754
methane;1-(2-methoxybutoxy)hexadecane
CID 161162906
(2R)-3-hexadecoxy-2-methoxypropan-1-ol
CID 10065250
1-(2-methylpropoxy)tridecane
CID 91526471
1-(2-methylpropoxy)undecane
CID 58527571
(3S)-4-hexadecoxy-3-methoxybutan-1-ol
CID 11393808
2-(hexadecoxymethyl)-3-methoxypropan-1-amine
CID 14835009
1-(2-ethylbutoxy)decane
CID 22002893

Frequently Asked Questions

What is the IUPAC name of 3-dodecoxy-1,2-dimethoxypropan-1-amine?
The IUPAC name of 3-dodecoxy-1,2-dimethoxypropan-1-amine (CID 54347264) is 3-dodecoxy-1,2-dimethoxypropan-1-amine.
What is the SMILES notation for 3-dodecoxy-1,2-dimethoxypropan-1-amine?
The canonical SMILES for 3-dodecoxy-1,2-dimethoxypropan-1-amine is CCCCCCCCCCCCOCC(OC)C(N)OC.
What is the InChIKey of 3-dodecoxy-1,2-dimethoxypropan-1-amine?
The InChIKey is UDDYRLBSVSSLIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37NO3/c1-4-5-6-7-8-9-10-11-12-13-14-21-15-16(19-2)17(18)20-3/h16-17H,4-15,18H2,1-3H3.
What are the key properties of 3-dodecoxy-1,2-dimethoxypropan-1-amine?
3-dodecoxy-1,2-dimethoxypropan-1-amine has a molecular weight of 303.49 g/mol, XLogP of 3.87, 16 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dodecoxy-1,2-dimethoxypropan-1-amine is sourced from PubChem (CID 54347264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).