(3S)-1-methoxydodecan-3-amine

C13H29NO — CID 139033924

IUPAC(3S)-1-methoxydodecan-3-amine
SMILESCCCCCCCCC[C@H](N)CCOC
InChIInChI=1S/C13H29NO/c1-3-4-5-6-7-8-9-10-13(14)11-12-15-2/h13H,3-12,14H2,1-2H3/t13-/m0/s1
InChIKeyVICFTUSLJAATTR-ZDUSSCGKSA-N
MW215.38 g/mol
LogP3.49
Rot. Bonds11

About (3S)-1-methoxydodecan-3-amine

(3S)-1-methoxydodecan-3-amine (PubChem CID 139033924) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is (3S)-1-methoxydodecan-3-amine.

Molecular Properties

Compound Name(3S)-1-methoxydodecan-3-amine
PubChem CID139033924
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC Name(3S)-1-methoxydodecan-3-amine
SMILESCCCCCCCCC[C@H](N)CCOC
InChIInChI=1S/C13H29NO/c1-3-4-5-6-7-8-9-10-13(14)11-12-15-2/h13H,3-12,14H2,1-2H3/t13-/m0/s1
InChIKeyVICFTUSLJAATTR-ZDUSSCGKSA-N
XLogP3.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(Octyloxy)propanamine
CID 85192
Laurixamine
CID 65596
3-(Decyloxy)propan-1-amine
CID 82088
3-(Octyloxy)propan-1-amine hydrochloride
CID 47002313
11-Aminododecan-1-ol
CID 46236338
13-Ethoxytridecan-1-amine
CID 93411
14-Ethoxytetradecan-1-amine
CID 3085605
12-Ethoxydodecan-1-amine
CID 3085904
3-(Nonyloxy)propylamine
CID 13313086
13-Aminotridecyl hypofluorite
CID 167165722
(13R)-13-aminotetradecan-1-ol
CID 178248922
9-(2,2,2-Trifluoroethoxy)nonan-4-amine
CID 64504134

Frequently Asked Questions

What is the IUPAC name of (3S)-1-methoxydodecan-3-amine?
The IUPAC name of (3S)-1-methoxydodecan-3-amine (CID 139033924) is (3S)-1-methoxydodecan-3-amine.
What is the SMILES notation for (3S)-1-methoxydodecan-3-amine?
The canonical SMILES for (3S)-1-methoxydodecan-3-amine is CCCCCCCCC[C@H](N)CCOC.
What is the InChIKey of (3S)-1-methoxydodecan-3-amine?
The InChIKey is VICFTUSLJAATTR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H29NO/c1-3-4-5-6-7-8-9-10-13(14)11-12-15-2/h13H,3-12,14H2,1-2H3/t13-/m0/s1.
What are the key properties of (3S)-1-methoxydodecan-3-amine?
(3S)-1-methoxydodecan-3-amine has a molecular weight of 215.38 g/mol, XLogP of 3.49, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-methoxydodecan-3-amine is sourced from PubChem (CID 139033924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).