1-(cyclopropylmethyl)-6-ethyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine

C13H24N4 — CID 114510771

IUPAC1-(cyclopropylmethyl)-6-ethyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine
SMILESCCC1CNCCC12CN=C(N)N2CC1CC1
InChIInChI=1S/C13H24N4/c1-2-11-7-15-6-5-13(11)9-16-12(14)17(13)8-10-3-4-10/h10-11,15H,2-9H2,1H3,(H2,14,16)
InChIKeyNYOFMGNCYQURIS-UHFFFAOYSA-N
MW236.36 g/mol
LogP0.79
Rot. Bonds3

About 1-(cyclopropylmethyl)-6-ethyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine

1-(cyclopropylmethyl)-6-ethyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine (PubChem CID 114510771) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-6-ethyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-6-ethyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine
PubChem CID114510771
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name1-(cyclopropylmethyl)-6-ethyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine
SMILESCCC1CNCCC12CN=C(N)N2CC1CC1
InChIInChI=1S/C13H24N4/c1-2-11-7-15-6-5-13(11)9-16-12(14)17(13)8-10-3-4-10/h10-11,15H,2-9H2,1H3,(H2,14,16)
InChIKeyNYOFMGNCYQURIS-UHFFFAOYSA-N
XLogP0.79
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-9-methyl-1,3-diazaspiro[4.4]non-2-en-2-amine
CID 79509728
1-(cyclopropylmethyl)-5-ethyl-5-(2-methylbutyl)-4H-imidazol-2-amine
CID 79521413
1-(4-bromophenyl)-6-methyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine
CID 114502282
1-(cyclopropylmethyl)-5-(2-methoxy-2-methylpropyl)-5-methyl-4H-imidazol-2-amine
CID 79521417
4-amino-1-(cyclopropylmethyl)-1,3,8-triazaspiro[4.5]dec-3-en-2-one
CID 79968201
6-methoxy-1-propyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 106874945
3-ethyl-4-fluoro-4-methylpiperidine
CID 84716301
1-(3-fluorophenyl)-6-methyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine
CID 114502286
4-amino-6-ethyl-1-(2-methoxyethyl)-1,3,8-triazaspiro[4.5]dec-3-en-2-one
CID 114510778
6-tert-butyl-1-[2-(dimethylamino)ethyl]-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79497842
9-methylsulfonyl-1-(oxolan-2-ylmethyl)-1,3-diazaspiro[4.4]non-2-en-2-amine
CID 79504740
5-ethyl-3-azaspiro[5.11]heptadecane
CID 79321032

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-6-ethyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine?
The IUPAC name of 1-(cyclopropylmethyl)-6-ethyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine (CID 114510771) is 1-(cyclopropylmethyl)-6-ethyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine.
What is the SMILES notation for 1-(cyclopropylmethyl)-6-ethyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine?
The canonical SMILES for 1-(cyclopropylmethyl)-6-ethyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine is CCC1CNCCC12CN=C(N)N2CC1CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-6-ethyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine?
The InChIKey is NYOFMGNCYQURIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-2-11-7-15-6-5-13(11)9-16-12(14)17(13)8-10-3-4-10/h10-11,15H,2-9H2,1H3,(H2,14,16).
What are the key properties of 1-(cyclopropylmethyl)-6-ethyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine?
1-(cyclopropylmethyl)-6-ethyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine has a molecular weight of 236.36 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-6-ethyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine is sourced from PubChem (CID 114510771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).