ethane;(Z)-1-(7-methyl-4,7-diazaspiro[2.5]oct-4-en-5-yl)but-1-en-2-amine

C13H25N3 — CID 156637590

IUPACethane;(Z)-1-(7-methyl-4,7-diazaspiro[2.5]oct-4-en-5-yl)but-1-en-2-amine
SMILESCC.CC/C(N)=C/C1=NC2(CC2)CN(C)C1
InChIInChI=1S/C11H19N3.C2H6/c1-3-9(12)6-10-7-14(2)8-11(13-10)4-5-11;1-2/h6H,3-5,7-8,12H2,1-2H3;1-2H3/b9-6-;
InChIKeyQUCUJVIQVZGCKL-BORNJIKYSA-N
MW223.36 g/mol
LogP2.18
Rot. Bonds2

About ethane;(Z)-1-(7-methyl-4,7-diazaspiro[2.5]oct-4-en-5-yl)but-1-en-2-amine

ethane;(Z)-1-(7-methyl-4,7-diazaspiro[2.5]oct-4-en-5-yl)but-1-en-2-amine (PubChem CID 156637590) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is ethane;(Z)-1-(7-methyl-4,7-diazaspiro[2.5]oct-4-en-5-yl)but-1-en-2-amine.

Molecular Properties

Compound Nameethane;(Z)-1-(7-methyl-4,7-diazaspiro[2.5]oct-4-en-5-yl)but-1-en-2-amine
PubChem CID156637590
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Nameethane;(Z)-1-(7-methyl-4,7-diazaspiro[2.5]oct-4-en-5-yl)but-1-en-2-amine
SMILESCC.CC/C(N)=C/C1=NC2(CC2)CN(C)C1
InChIInChI=1S/C11H19N3.C2H6/c1-3-9(12)6-10-7-14(2)8-11(13-10)4-5-11;1-2/h6H,3-5,7-8,12H2,1-2H3;1-2H3/b9-6-;
InChIKeyQUCUJVIQVZGCKL-BORNJIKYSA-N
XLogP2.18
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethane;(Z)-1-(7-methyl-4,7-diazaspiro[2.5]oct-4-en-5-yl)but-1-en-2-amine with MolForge

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Related Compounds

(Z)-N-tert-butyl-4-[3-(dimethylamino)propylimino]pent-2-en-2-amine
CID 101561719
(6Z)-5-ethyl-6-ethylidene-2,2-dimethyl-1,3-dihydropyrazine
CID 117837583
(Z)-1-(4-methyl-3,5-dihydro-2H-pyrazin-6-yl)prop-1-en-2-amine
CID 118423086
(Z)-3,3-dimethyl-1-(4-methyl-3,5-dihydro-2H-pyrazin-6-yl)but-1-en-2-amine
CID 153571682
(Z)-1-(1,5,5-trimethyl-2,6-dihydropyrazin-3-yl)prop-1-en-2-amine
CID 156079509
(Z)-4-methyl-1-(1,5,5-trimethyl-2,6-dihydropyrazin-3-yl)pent-1-en-2-amine
CID 156637528
(Z)-1-(4-methyl-3,5-dihydro-2H-pyrazin-6-yl)pent-1-en-2-amine
CID 156637551
(Z)-4-methyl-1-(7-methyl-4,7-diazaspiro[2.5]oct-4-en-5-yl)pent-1-en-2-amine
CID 156637576
(Z)-1-(7-methyl-4,7-diazaspiro[2.5]oct-4-en-5-yl)prop-1-en-2-amine
CID 156637648
1-(4-methyl-3,5-dihydro-2H-pyrazin-6-yl)prop-1-en-2-amine
CID 173602734
1-(4-propan-2-yl-3,5-dihydro-2H-pyrazin-6-yl)prop-1-en-2-amine
CID 173607891
1-(1,5,5-Trimethyl-2,6-dihydropyrazin-3-yl)prop-1-en-2-amine
CID 173921126

Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-1-(7-methyl-4,7-diazaspiro[2.5]oct-4-en-5-yl)but-1-en-2-amine?
The IUPAC name of ethane;(Z)-1-(7-methyl-4,7-diazaspiro[2.5]oct-4-en-5-yl)but-1-en-2-amine (CID 156637590) is ethane;(Z)-1-(7-methyl-4,7-diazaspiro[2.5]oct-4-en-5-yl)but-1-en-2-amine.
What is the SMILES notation for ethane;(Z)-1-(7-methyl-4,7-diazaspiro[2.5]oct-4-en-5-yl)but-1-en-2-amine?
The canonical SMILES for ethane;(Z)-1-(7-methyl-4,7-diazaspiro[2.5]oct-4-en-5-yl)but-1-en-2-amine is CC.CC/C(N)=C/C1=NC2(CC2)CN(C)C1.
What is the InChIKey of ethane;(Z)-1-(7-methyl-4,7-diazaspiro[2.5]oct-4-en-5-yl)but-1-en-2-amine?
The InChIKey is QUCUJVIQVZGCKL-BORNJIKYSA-N. The full InChI is InChI=1S/C11H19N3.C2H6/c1-3-9(12)6-10-7-14(2)8-11(13-10)4-5-11;1-2/h6H,3-5,7-8,12H2,1-2H3;1-2H3/b9-6-;.
What are the key properties of ethane;(Z)-1-(7-methyl-4,7-diazaspiro[2.5]oct-4-en-5-yl)but-1-en-2-amine?
ethane;(Z)-1-(7-methyl-4,7-diazaspiro[2.5]oct-4-en-5-yl)but-1-en-2-amine has a molecular weight of 223.36 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-1-(7-methyl-4,7-diazaspiro[2.5]oct-4-en-5-yl)but-1-en-2-amine is sourced from PubChem (CID 156637590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).