2-[1-(ethylideneamino)hepta-2,6-dien-2-yl]-N,3-dimethylcyclopropan-1-amine

C14H24N2 — CID 123821977

IUPAC2-[1-(ethylideneamino)hepta-2,6-dien-2-yl]-N,3-dimethylcyclopropan-1-amine
SMILESC=CCCC=C(C/N=C/C)C1C(C)C1NC
InChIInChI=1S/C14H24N2/c1-5-7-8-9-12(10-16-6-2)13-11(3)14(13)15-4/h5-6,9,11,13-15H,1,7-8,10H2,2-4H3/b12-9?,16-6+
InChIKeyMLDABQZEEKRPAN-UFOYLXRNSA-N
MW220.36 g/mol
LogP2.82
Rot. Bonds7

About 2-[1-(ethylideneamino)hepta-2,6-dien-2-yl]-N,3-dimethylcyclopropan-1-amine

2-[1-(ethylideneamino)hepta-2,6-dien-2-yl]-N,3-dimethylcyclopropan-1-amine (PubChem CID 123821977) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 2-[1-(ethylideneamino)hepta-2,6-dien-2-yl]-N,3-dimethylcyclopropan-1-amine.

Molecular Properties

Compound Name2-[1-(ethylideneamino)hepta-2,6-dien-2-yl]-N,3-dimethylcyclopropan-1-amine
PubChem CID123821977
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name2-[1-(ethylideneamino)hepta-2,6-dien-2-yl]-N,3-dimethylcyclopropan-1-amine
SMILESC=CCCC=C(C/N=C/C)C1C(C)C1NC
InChIInChI=1S/C14H24N2/c1-5-7-8-9-12(10-16-6-2)13-11(3)14(13)15-4/h5-6,9,11,13-15H,1,7-8,10H2,2-4H3/b12-9?,16-6+
InChIKeyMLDABQZEEKRPAN-UFOYLXRNSA-N
XLogP2.82
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3E)-3-ethylocta-3,7-dien-2-ol
CID 88713488
10-methylundeca-1,5,9-triene
CID 71330376
6-methyldeca-1,5,8-triene
CID 150645087
methyl 2-methylhepta-2,6-dienoate
CID 54478570
(2Z)-N-[bis(dimethylamino)phosphoryl]hepta-2,6-dien-2-amine
CID 134933972
(3E)-3-methylocta-3,7-dien-2-ol
CID 20501690
1-chloroprop-1-ene;hexa-1,5-diene
CID 174915187
N-ethylidenehydroxylamine;sulfane
CID 174747944
(4E)-4-methylnona-4,8-dien-3-one
CID 20501818
methyl 4-methylnona-4,8-dienoate
CID 71333092
hexa-1,5-diene;propane;propan-1-ol
CID 145351847
(5Z,9E)-dodeca-1,5,9-triene
CID 173147853

Frequently Asked Questions

What is the IUPAC name of 2-[1-(ethylideneamino)hepta-2,6-dien-2-yl]-N,3-dimethylcyclopropan-1-amine?
The IUPAC name of 2-[1-(ethylideneamino)hepta-2,6-dien-2-yl]-N,3-dimethylcyclopropan-1-amine (CID 123821977) is 2-[1-(ethylideneamino)hepta-2,6-dien-2-yl]-N,3-dimethylcyclopropan-1-amine.
What is the SMILES notation for 2-[1-(ethylideneamino)hepta-2,6-dien-2-yl]-N,3-dimethylcyclopropan-1-amine?
The canonical SMILES for 2-[1-(ethylideneamino)hepta-2,6-dien-2-yl]-N,3-dimethylcyclopropan-1-amine is C=CCCC=C(C/N=C/C)C1C(C)C1NC.
What is the InChIKey of 2-[1-(ethylideneamino)hepta-2,6-dien-2-yl]-N,3-dimethylcyclopropan-1-amine?
The InChIKey is MLDABQZEEKRPAN-UFOYLXRNSA-N. The full InChI is InChI=1S/C14H24N2/c1-5-7-8-9-12(10-16-6-2)13-11(3)14(13)15-4/h5-6,9,11,13-15H,1,7-8,10H2,2-4H3/b12-9?,16-6+.
What are the key properties of 2-[1-(ethylideneamino)hepta-2,6-dien-2-yl]-N,3-dimethylcyclopropan-1-amine?
2-[1-(ethylideneamino)hepta-2,6-dien-2-yl]-N,3-dimethylcyclopropan-1-amine has a molecular weight of 220.36 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(ethylideneamino)hepta-2,6-dien-2-yl]-N,3-dimethylcyclopropan-1-amine is sourced from PubChem (CID 123821977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).