heptadec-1-en-2-amine;molecular hydrogen

C17H37N — CID 143986665

IUPACheptadec-1-en-2-amine;molecular hydrogen
SMILESC=C(N)CCCCCCCCCCCCCCC.[H][H]
InChIInChI=1S/C17H35N.H2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(2)18;/h2-16,18H2,1H3;1H
InChIKeyVFUPMYJIANFJJL-UHFFFAOYSA-N
MW255.49 g/mol
LogP6.19
Rot. Bonds14

About heptadec-1-en-2-amine;molecular hydrogen

heptadec-1-en-2-amine;molecular hydrogen (PubChem CID 143986665) has the molecular formula C17H37N and a molecular weight of 255.49 g/mol. Its IUPAC name is heptadec-1-en-2-amine;molecular hydrogen.

Molecular Properties

Compound Nameheptadec-1-en-2-amine;molecular hydrogen
PubChem CID143986665
Molecular FormulaC17H37N
Molecular Weight255.49 g/mol
Exact Mass255.29
IUPAC Nameheptadec-1-en-2-amine;molecular hydrogen
SMILESC=C(N)CCCCCCCCCCCCCCC.[H][H]
InChIInChI=1S/C17H35N.H2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(2)18;/h2-16,18H2,1H3;1H
InChIKeyVFUPMYJIANFJJL-UHFFFAOYSA-N
XLogP6.19
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500255.49
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;hept-1-en-2-amine
CID 143133065
6-methylidenedodecane
CID 21453027
henicos-1-en-2-ol
CID 90735098
6-methylidenetetradecane
CID 21477883
2-methylidenetridecanamide
CID 22648504
2-methylidenepentadecanamide
CID 57359889
2-methyltetradec-1-ene
CID 521375
19-methylideneheptatriacontane;titanium
CID 174477367
dodec-11-ene-1,11-diamine
CID 88786698
tetradecanamide
CID 175692014
nonacosanamide
CID 21105912
tetrapentacontanamide
CID 139682680

Frequently Asked Questions

What is the IUPAC name of heptadec-1-en-2-amine;molecular hydrogen?
The IUPAC name of heptadec-1-en-2-amine;molecular hydrogen (CID 143986665) is heptadec-1-en-2-amine;molecular hydrogen.
What is the SMILES notation for heptadec-1-en-2-amine;molecular hydrogen?
The canonical SMILES for heptadec-1-en-2-amine;molecular hydrogen is C=C(N)CCCCCCCCCCCCCCC.[H][H].
What is the InChIKey of heptadec-1-en-2-amine;molecular hydrogen?
The InChIKey is VFUPMYJIANFJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N.H2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(2)18;/h2-16,18H2,1H3;1H.
What are the key properties of heptadec-1-en-2-amine;molecular hydrogen?
heptadec-1-en-2-amine;molecular hydrogen has a molecular weight of 255.49 g/mol, XLogP of 6.19, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for heptadec-1-en-2-amine;molecular hydrogen is sourced from PubChem (CID 143986665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).