(2S,3R)-3-prop-2-enoxydodecan-2-amine

C15H31NO — CID 11042890

IUPAC(2S,3R)-3-prop-2-enoxydodecan-2-amine
SMILESC=CCO[C@H](CCCCCCCCC)[C@H](C)N
InChIInChI=1S/C15H31NO/c1-4-6-7-8-9-10-11-12-15(14(3)16)17-13-5-2/h5,14-15H,2,4,6-13,16H2,1,3H3/t14-,15+/m0/s1
InChIKeyVPBSKMRVFLTDMO-LSDHHAIUSA-N
MW241.42 g/mol
LogP4.05
Rot. Bonds12

About (2S,3R)-3-prop-2-enoxydodecan-2-amine

(2S,3R)-3-prop-2-enoxydodecan-2-amine (PubChem CID 11042890) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is (2S,3R)-3-prop-2-enoxydodecan-2-amine.

Molecular Properties

Compound Name(2S,3R)-3-prop-2-enoxydodecan-2-amine
PubChem CID11042890
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name(2S,3R)-3-prop-2-enoxydodecan-2-amine
SMILESC=CCO[C@H](CCCCCCCCC)[C@H](C)N
InChIInChI=1S/C15H31NO/c1-4-6-7-8-9-10-11-12-15(14(3)16)17-13-5-2/h5,14-15H,2,4,6-13,16H2,1,3H3/t14-,15+/m0/s1
InChIKeyVPBSKMRVFLTDMO-LSDHHAIUSA-N
XLogP4.05
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2S,3R)-3-prop-2-enoxydodecan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Prop-2-enoxyhexane-1,3-diamine
CID 87134484
7-(2-Methylprop-2-enoxy)octane-1,6-diamine
CID 135359277
2-[(E)-but-2-enoxy]cyclohexan-1-amine;ethane;prop-1-ene
CID 142986216
2-Ethoxyoct-7-en-3-amine
CID 64542187
2-(3-Methylbut-2-enoxy)cycloheptan-1-amine
CID 104284609
2-[(E)-but-2-enoxy]cycloheptan-1-amine
CID 104284610
2-(2-Methylprop-2-enoxy)cycloheptan-1-amine
CID 104284701
2-Prop-2-enoxycycloheptan-1-amine
CID 104284702
2-But-3-en-2-yloxycycloheptan-1-amine
CID 104284829
2-[(E)-but-2-enoxy]cyclohexan-1-amine
CID 104285251
2-Prop-2-enoxycyclohexan-1-amine
CID 104285346
2-But-3-en-2-yloxycyclohexan-1-amine
CID 104285475

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-prop-2-enoxydodecan-2-amine?
The IUPAC name of (2S,3R)-3-prop-2-enoxydodecan-2-amine (CID 11042890) is (2S,3R)-3-prop-2-enoxydodecan-2-amine.
What is the SMILES notation for (2S,3R)-3-prop-2-enoxydodecan-2-amine?
The canonical SMILES for (2S,3R)-3-prop-2-enoxydodecan-2-amine is C=CCO[C@H](CCCCCCCCC)[C@H](C)N.
What is the InChIKey of (2S,3R)-3-prop-2-enoxydodecan-2-amine?
The InChIKey is VPBSKMRVFLTDMO-LSDHHAIUSA-N. The full InChI is InChI=1S/C15H31NO/c1-4-6-7-8-9-10-11-12-15(14(3)16)17-13-5-2/h5,14-15H,2,4,6-13,16H2,1,3H3/t14-,15+/m0/s1.
What are the key properties of (2S,3R)-3-prop-2-enoxydodecan-2-amine?
(2S,3R)-3-prop-2-enoxydodecan-2-amine has a molecular weight of 241.42 g/mol, XLogP of 4.05, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-prop-2-enoxydodecan-2-amine is sourced from PubChem (CID 11042890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).