ethane;hept-1-en-2-amine

C9H21N — CID 143133065

IUPACethane;hept-1-en-2-amine
SMILESC=C(N)CCCCC.CC
InChIInChI=1S/C7H15N.C2H6/c1-3-4-5-6-7(2)8;1-2/h2-6,8H2,1H3;1-2H3
InChIKeyKYXWVOHCHXJWNV-UHFFFAOYSA-N
MW143.27 g/mol
LogP3.07
Rot. Bonds4

About ethane;hept-1-en-2-amine

ethane;hept-1-en-2-amine (PubChem CID 143133065) has the molecular formula C9H21N and a molecular weight of 143.27 g/mol. Its IUPAC name is ethane;hept-1-en-2-amine.

Molecular Properties

Compound Nameethane;hept-1-en-2-amine
PubChem CID143133065
Molecular FormulaC9H21N
Molecular Weight143.27 g/mol
Exact Mass143.17
IUPAC Nameethane;hept-1-en-2-amine
SMILESC=C(N)CCCCC.CC
InChIInChI=1S/C7H15N.C2H6/c1-3-4-5-6-7(2)8;1-2/h2-6,8H2,1H3;1-2H3
InChIKeyKYXWVOHCHXJWNV-UHFFFAOYSA-N
XLogP3.07
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.27
LogP ≤ 53.07
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

heptadec-1-en-2-amine;molecular hydrogen
CID 143986665
ethane;2-methylhept-1-ene
CID 143682307
ethane;2-methyloct-1-ene
CID 143077596
ethane;N'-hept-1-en-2-ylethanimidamide
CID 145472363
6-methylidenedodecane
CID 21453027
henicos-1-en-2-ol
CID 90735098
6-methylidenetetradecane
CID 21477883
ethane;2-methyldodec-1-en-3-one
CID 143443601
2-methylidenetridecanamide
CID 22648504
2-methylidenepentadecanamide
CID 57359889
ethane;2-methyloct-1-ene;propane
CID 177190898
ethane;hexane;2-methylprop-1-ene;propane
CID 145358355

Frequently Asked Questions

What is the IUPAC name of ethane;hept-1-en-2-amine?
The IUPAC name of ethane;hept-1-en-2-amine (CID 143133065) is ethane;hept-1-en-2-amine.
What is the SMILES notation for ethane;hept-1-en-2-amine?
The canonical SMILES for ethane;hept-1-en-2-amine is C=C(N)CCCCC.CC.
What is the InChIKey of ethane;hept-1-en-2-amine?
The InChIKey is KYXWVOHCHXJWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N.C2H6/c1-3-4-5-6-7(2)8;1-2/h2-6,8H2,1H3;1-2H3.
What are the key properties of ethane;hept-1-en-2-amine?
ethane;hept-1-en-2-amine has a molecular weight of 143.27 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;hept-1-en-2-amine is sourced from PubChem (CID 143133065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).