ethane;N-fluoro-N-methylhexa-1,5-dien-2-amine

C9H18FN — CID 162360697

IUPACethane;N-fluoro-N-methylhexa-1,5-dien-2-amine
SMILESC=CCCC(=C)N(C)F.CC
InChIInChI=1S/C7H12FN.C2H6/c1-4-5-6-7(2)9(3)8;1-2/h4H,1-2,5-6H2,3H3;1-2H3
InChIKeyYVKWPMFINWDPJG-UHFFFAOYSA-N
MW159.25 g/mol
LogP3.31
Rot. Bonds4

About ethane;N-fluoro-N-methylhexa-1,5-dien-2-amine

ethane;N-fluoro-N-methylhexa-1,5-dien-2-amine (PubChem CID 162360697) has the molecular formula C9H18FN and a molecular weight of 159.25 g/mol. Its IUPAC name is ethane;N-fluoro-N-methylhexa-1,5-dien-2-amine.

Molecular Properties

Compound Nameethane;N-fluoro-N-methylhexa-1,5-dien-2-amine
PubChem CID162360697
Molecular FormulaC9H18FN
Molecular Weight159.25 g/mol
Exact Mass159.14
IUPAC Nameethane;N-fluoro-N-methylhexa-1,5-dien-2-amine
SMILESC=CCCC(=C)N(C)F.CC
InChIInChI=1S/C7H12FN.C2H6/c1-4-5-6-7(2)9(3)8;1-2/h4H,1-2,5-6H2,3H3;1-2H3
InChIKeyYVKWPMFINWDPJG-UHFFFAOYSA-N
XLogP3.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-(2-methylbutyl)hexa-1,5-dien-2-amine
CID 143366441
N,N-diaminohexa-1,5-dien-2-amine
CID 171097369
(5E)-5-bromohepta-1,5-diene
CID 163878412
ethane;2-methylhexa-1,5-diene;molecular hydrogen
CID 144513072
hexa-1,5-dien-2-ol
CID 71321875
N,N-dimethylpent-4-enamide
CID 13308678
ethane;(5E)-5-propan-2-ylhepta-1,5-diene
CID 142226106
N-hexa-1,5-dien-2-yl-N-propylacetamide
CID 154931819
ethane;(5Z)-5-methylhepta-1,5-diene
CID 142997772
5-methylidenehept-1-ene
CID 54202269
N-[6-[hexa-1,5-dien-2-yl(methyl)amino]hexyl]formamide
CID 155696813
ethane;5-methylideneoct-1-ene;2-methylprop-1-ene
CID 142462861

Frequently Asked Questions

What is the IUPAC name of ethane;N-fluoro-N-methylhexa-1,5-dien-2-amine?
The IUPAC name of ethane;N-fluoro-N-methylhexa-1,5-dien-2-amine (CID 162360697) is ethane;N-fluoro-N-methylhexa-1,5-dien-2-amine.
What is the SMILES notation for ethane;N-fluoro-N-methylhexa-1,5-dien-2-amine?
The canonical SMILES for ethane;N-fluoro-N-methylhexa-1,5-dien-2-amine is C=CCCC(=C)N(C)F.CC.
What is the InChIKey of ethane;N-fluoro-N-methylhexa-1,5-dien-2-amine?
The InChIKey is YVKWPMFINWDPJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FN.C2H6/c1-4-5-6-7(2)9(3)8;1-2/h4H,1-2,5-6H2,3H3;1-2H3.
What are the key properties of ethane;N-fluoro-N-methylhexa-1,5-dien-2-amine?
ethane;N-fluoro-N-methylhexa-1,5-dien-2-amine has a molecular weight of 159.25 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-fluoro-N-methylhexa-1,5-dien-2-amine is sourced from PubChem (CID 162360697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).