(E)-1-decoxyprop-1-en-1-amine

C13H27NO — CID 88696659

IUPAC(E)-1-decoxyprop-1-en-1-amine
SMILESC/C=C(\N)OCCCCCCCCCC
InChIInChI=1S/C13H27NO/c1-3-5-6-7-8-9-10-11-12-15-13(14)4-2/h4H,3,5-12,14H2,1-2H3/b13-4+
InChIKeyYTOMESXBGLQOOM-YIXHJXPBSA-N
MW213.36 g/mol
LogP3.96
Rot. Bonds10

About (E)-1-decoxyprop-1-en-1-amine

(E)-1-decoxyprop-1-en-1-amine (PubChem CID 88696659) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is (E)-1-decoxyprop-1-en-1-amine.

Molecular Properties

Compound Name(E)-1-decoxyprop-1-en-1-amine
PubChem CID88696659
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name(E)-1-decoxyprop-1-en-1-amine
SMILESC/C=C(\N)OCCCCCCCCCC
InChIInChI=1S/C13H27NO/c1-3-5-6-7-8-9-10-11-12-15-13(14)4-2/h4H,3,5-12,14H2,1-2H3/b13-4+
InChIKeyYTOMESXBGLQOOM-YIXHJXPBSA-N
XLogP3.96
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(E)-1-octoxyprop-1-en-1-amine
CID 140692323
dihexyl (Z)-but-2-enedioate
CID 5271573
4-O-hexyl 1-O-pentyl (E)-but-2-enedioate
CID 91709768
dioctyl but-2-enedioate
CID 18011
didodecyl (Z)-but-2-enedioate
CID 5354846
diundecyl (Z)-but-2-enedioate
CID 5354455
4-O-decyl 1-O-heptyl (E)-but-2-enedioate
CID 91693346
dodecyl (E)-but-2-enoate
CID 5462914
heptyl (Z)-4-amino-4-oxobut-2-enoate
CID 139644348
hexyl 2-aminobut-2-enoate
CID 141223654
dodecyl 2-aminobut-2-enoate
CID 154120313
octacosyl carbamate
CID 160925840

Frequently Asked Questions

What is the IUPAC name of (E)-1-decoxyprop-1-en-1-amine?
The IUPAC name of (E)-1-decoxyprop-1-en-1-amine (CID 88696659) is (E)-1-decoxyprop-1-en-1-amine.
What is the SMILES notation for (E)-1-decoxyprop-1-en-1-amine?
The canonical SMILES for (E)-1-decoxyprop-1-en-1-amine is C/C=C(\N)OCCCCCCCCCC.
What is the InChIKey of (E)-1-decoxyprop-1-en-1-amine?
The InChIKey is YTOMESXBGLQOOM-YIXHJXPBSA-N. The full InChI is InChI=1S/C13H27NO/c1-3-5-6-7-8-9-10-11-12-15-13(14)4-2/h4H,3,5-12,14H2,1-2H3/b13-4+.
What are the key properties of (E)-1-decoxyprop-1-en-1-amine?
(E)-1-decoxyprop-1-en-1-amine has a molecular weight of 213.36 g/mol, XLogP of 3.96, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-decoxyprop-1-en-1-amine is sourced from PubChem (CID 88696659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).