ethane;methylcyclopropane;(Z)-oct-5-en-3-amine

C14H31N — CID 144829616

IUPACethane;methylcyclopropane;(Z)-oct-5-en-3-amine
SMILESCC.CC/C=C\CC(N)CC.CC1CC1
InChIInChI=1S/C8H17N.C4H8.C2H6/c1-3-5-6-7-8(9)4-2;1-4-2-3-4;1-2/h5-6,8H,3-4,7,9H2,1-2H3;4H,2-3H2,1H3;1-2H3/b6-5-;;
InChIKeyNONQLKOMVJKTJH-XNOMRPDFSA-N
MW213.41 g/mol
LogP4.52
Rot. Bonds4

About ethane;methylcyclopropane;(Z)-oct-5-en-3-amine

ethane;methylcyclopropane;(Z)-oct-5-en-3-amine (PubChem CID 144829616) has the molecular formula C14H31N and a molecular weight of 213.41 g/mol. Its IUPAC name is ethane;methylcyclopropane;(Z)-oct-5-en-3-amine.

Molecular Properties

Compound Nameethane;methylcyclopropane;(Z)-oct-5-en-3-amine
PubChem CID144829616
Molecular FormulaC14H31N
Molecular Weight213.41 g/mol
Exact Mass213.25
IUPAC Nameethane;methylcyclopropane;(Z)-oct-5-en-3-amine
SMILESCC.CC/C=C\CC(N)CC.CC1CC1
InChIInChI=1S/C8H17N.C4H8.C2H6/c1-3-5-6-7-8(9)4-2;1-4-2-3-4;1-2/h5-6,8H,3-4,7,9H2,1-2H3;4H,2-3H2,1H3;1-2H3/b6-5-;;
InChIKeyNONQLKOMVJKTJH-XNOMRPDFSA-N
XLogP4.52
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.41
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-6-aminooct-3-enoic acid
CID 169196250
octa-5,7-dien-3-amine
CID 88768699
(Z)-dec-7-en-3-amine
CID 55254863
1-[(E)-but-1-enyl]-4-methylcyclohexane
CID 21137229
(2S)-1-cyclopentylbutan-2-amine
CID 58736664
ethane;hexan-3-amine
CID 143616305
(Z)-1,1,1-trifluorohept-4-en-2-amine
CID 55283427
2-[(E)-4-aminohex-1-enyl]phenol
CID 55254229
ethane;methylcyclopropane
CID 158329065
(2E,6Z)-1-cyclopropylnona-2,6-dien-1-amine
CID 154605430
cyclohexanamine;(2S)-1-cyclohexylbutan-2-amine;cyclopentane;ethane
CID 143080326
1,4-dimethylcyclohexane;ethane;methane;propane
CID 143683179

Frequently Asked Questions

What is the IUPAC name of ethane;methylcyclopropane;(Z)-oct-5-en-3-amine?
The IUPAC name of ethane;methylcyclopropane;(Z)-oct-5-en-3-amine (CID 144829616) is ethane;methylcyclopropane;(Z)-oct-5-en-3-amine.
What is the SMILES notation for ethane;methylcyclopropane;(Z)-oct-5-en-3-amine?
The canonical SMILES for ethane;methylcyclopropane;(Z)-oct-5-en-3-amine is CC.CC/C=C\CC(N)CC.CC1CC1.
What is the InChIKey of ethane;methylcyclopropane;(Z)-oct-5-en-3-amine?
The InChIKey is NONQLKOMVJKTJH-XNOMRPDFSA-N. The full InChI is InChI=1S/C8H17N.C4H8.C2H6/c1-3-5-6-7-8(9)4-2;1-4-2-3-4;1-2/h5-6,8H,3-4,7,9H2,1-2H3;4H,2-3H2,1H3;1-2H3/b6-5-;;.
What are the key properties of ethane;methylcyclopropane;(Z)-oct-5-en-3-amine?
ethane;methylcyclopropane;(Z)-oct-5-en-3-amine has a molecular weight of 213.41 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methylcyclopropane;(Z)-oct-5-en-3-amine is sourced from PubChem (CID 144829616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).