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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).