ethane;ethene;3-ethyl-N,4-dimethylpent-4-en-1-amine

C13H29N — CID 171815778

IUPACethane;ethene;3-ethyl-N,4-dimethylpent-4-en-1-amine
SMILESC=C.C=C(C)C(CC)CCNC.CC
InChIInChI=1S/C9H19N.C2H6.C2H4/c1-5-9(8(2)3)6-7-10-4;2*1-2/h9-10H,2,5-7H2,1,3-4H3;1-2H3;1-2H2
InChIKeyWTLQADCMMQSZGM-UHFFFAOYSA-N
MW199.38 g/mol
LogP4.03
Rot. Bonds5

About ethane;ethene;3-ethyl-N,4-dimethylpent-4-en-1-amine

ethane;ethene;3-ethyl-N,4-dimethylpent-4-en-1-amine (PubChem CID 171815778) has the molecular formula C13H29N and a molecular weight of 199.38 g/mol. Its IUPAC name is ethane;ethene;3-ethyl-N,4-dimethylpent-4-en-1-amine.

Molecular Properties

Compound Nameethane;ethene;3-ethyl-N,4-dimethylpent-4-en-1-amine
PubChem CID171815778
Molecular FormulaC13H29N
Molecular Weight199.38 g/mol
Exact Mass199.23
IUPAC Nameethane;ethene;3-ethyl-N,4-dimethylpent-4-en-1-amine
SMILESC=C.C=C(C)C(CC)CCNC.CC
InChIInChI=1S/C9H19N.C2H6.C2H4/c1-5-9(8(2)3)6-7-10-4;2*1-2/h9-10H,2,5-7H2,1,3-4H3;1-2H3;1-2H2
InChIKeyWTLQADCMMQSZGM-UHFFFAOYSA-N
XLogP4.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.38
LogP ≤ 54.03
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

3-ethyl-2,7-dimethyloct-1-ene
CID 123570593
N,3-dimethylpentan-1-amine;ethane
CID 142089517
5-ethyl-N,7,7-trimethyl-6-methylideneoctan-1-amine
CID 155468092
azane;3-ethyl-2-methylpent-1-ene;hydrochloride
CID 175344836
3-ethyl-2-methyl-6-methylideneoct-1-ene
CID 144692638
3-ethyl-2-methyldodec-1-ene
CID 174845873
6-ethyl-7-methylocta-1,2,7-triene
CID 91218176
N,3-dimethylpentan-1-amine;prop-1-ene
CID 171815498
ethane;N,3,4-trimethylhexan-1-amine
CID 145138668
(3-ethyl-4-methylpent-4-enyl)benzene
CID 123220776
1-N,3-dimethylpent-4-ene-1,4-diamine
CID 142892579
(3S)-3,5-bis(methylamino)pentan-2-one;(3S)-3-ethyl-4-oxopentanal
CID 159361137

Frequently Asked Questions

What is the IUPAC name of ethane;ethene;3-ethyl-N,4-dimethylpent-4-en-1-amine?
The IUPAC name of ethane;ethene;3-ethyl-N,4-dimethylpent-4-en-1-amine (CID 171815778) is ethane;ethene;3-ethyl-N,4-dimethylpent-4-en-1-amine.
What is the SMILES notation for ethane;ethene;3-ethyl-N,4-dimethylpent-4-en-1-amine?
The canonical SMILES for ethane;ethene;3-ethyl-N,4-dimethylpent-4-en-1-amine is C=C.C=C(C)C(CC)CCNC.CC.
What is the InChIKey of ethane;ethene;3-ethyl-N,4-dimethylpent-4-en-1-amine?
The InChIKey is WTLQADCMMQSZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N.C2H6.C2H4/c1-5-9(8(2)3)6-7-10-4;2*1-2/h9-10H,2,5-7H2,1,3-4H3;1-2H3;1-2H2.
What are the key properties of ethane;ethene;3-ethyl-N,4-dimethylpent-4-en-1-amine?
ethane;ethene;3-ethyl-N,4-dimethylpent-4-en-1-amine has a molecular weight of 199.38 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethene;3-ethyl-N,4-dimethylpent-4-en-1-amine is sourced from PubChem (CID 171815778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).