1-[2-(dimethylamino)ethyl]-9-ethyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine

C14H29N5 — CID 79498192

IUPAC1-[2-(dimethylamino)ethyl]-9-ethyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine
SMILESCCN1CCCC2(CC1)CN=C(N)N2CCN(C)C
InChIInChI=1S/C14H29N5/c1-4-18-8-5-6-14(7-9-18)12-16-13(15)19(14)11-10-17(2)3/h4-12H2,1-3H3,(H2,15,16)
InChIKeyKTMWSTRFVOFINX-UHFFFAOYSA-N
MW267.42 g/mol
LogP0.42
Rot. Bonds4

About 1-[2-(dimethylamino)ethyl]-9-ethyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine

1-[2-(dimethylamino)ethyl]-9-ethyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine (PubChem CID 79498192) has the molecular formula C14H29N5 and a molecular weight of 267.42 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-9-ethyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-9-ethyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine
PubChem CID79498192
Molecular FormulaC14H29N5
Molecular Weight267.42 g/mol
Exact Mass267.24
IUPAC Name1-[2-(dimethylamino)ethyl]-9-ethyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine
SMILESCCN1CCCC2(CC1)CN=C(N)N2CCN(C)C
InChIInChI=1S/C14H29N5/c1-4-18-8-5-6-14(7-9-18)12-16-13(15)19(14)11-10-17(2)3/h4-12H2,1-3H3,(H2,15,16)
InChIKeyKTMWSTRFVOFINX-UHFFFAOYSA-N
XLogP0.42
TPSA48.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methoxyethyl)-9-propyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine
CID 79504939
9-ethyl-1-propan-2-yl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine
CID 79498392
1-[2-(diethylamino)ethyl]-8-propyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine
CID 79502004
7-cyclopropyl-1-[2-(dimethylamino)ethyl]-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79498918
1-cyclopentyl-9-propyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine
CID 79520778
1-propan-2-yl-9-propyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine
CID 79498008
9-ethyl-1-(3-fluorophenyl)-1,3,9-triazaspiro[4.6]undec-2-en-2-amine
CID 79503079
2-amino-N,N-dimethyl-1-propyl-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide
CID 83266597
1-cycloheptyl-8-propyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine
CID 79496898
1-(2-methylpropyl)-1,3-diazaspiro[4.7]dodec-2-en-2-amine
CID 79498245
1-(2-methylpropyl)-1,3-diazaspiro[4.6]undec-2-en-2-amine
CID 79497099
8-methyl-1-(oxolan-2-ylmethyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-amine
CID 79505483

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-9-ethyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-9-ethyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine (CID 79498192) is 1-[2-(dimethylamino)ethyl]-9-ethyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-9-ethyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-9-ethyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine is CCN1CCCC2(CC1)CN=C(N)N2CCN(C)C.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-9-ethyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine?
The InChIKey is KTMWSTRFVOFINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N5/c1-4-18-8-5-6-14(7-9-18)12-16-13(15)19(14)11-10-17(2)3/h4-12H2,1-3H3,(H2,15,16).
What are the key properties of 1-[2-(dimethylamino)ethyl]-9-ethyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine?
1-[2-(dimethylamino)ethyl]-9-ethyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine has a molecular weight of 267.42 g/mol, XLogP of 0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-9-ethyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine is sourced from PubChem (CID 79498192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).