N,N,6,7-tetramethyl-2-prop-2-enylimino-1,3,6,7-tetrahydro-1,3,5-triazepin-4-amine

C11H21N5 — CID 137139798

IUPACN,N,6,7-tetramethyl-2-prop-2-enylimino-1,3,6,7-tetrahydro-1,3,5-triazepin-4-amine
SMILESC=CC/N=C1/NC(N(C)C)=NC(C)C(C)N1
InChIInChI=1S/C11H21N5/c1-6-7-12-10-13-8(2)9(3)14-11(15-10)16(4)5/h6,8-9H,1,7H2,2-5H3,(H2,12,13,14,15)
InChIKeyRNIOYVUGHCPMFY-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.42
Rot. Bonds2

About N,N,6,7-tetramethyl-2-prop-2-enylimino-1,3,6,7-tetrahydro-1,3,5-triazepin-4-amine

N,N,6,7-tetramethyl-2-prop-2-enylimino-1,3,6,7-tetrahydro-1,3,5-triazepin-4-amine (PubChem CID 137139798) has the molecular formula C11H21N5 and a molecular weight of 223.32 g/mol. Its IUPAC name is N,N,6,7-tetramethyl-2-prop-2-enylimino-1,3,6,7-tetrahydro-1,3,5-triazepin-4-amine.

Molecular Properties

Compound NameN,N,6,7-tetramethyl-2-prop-2-enylimino-1,3,6,7-tetrahydro-1,3,5-triazepin-4-amine
PubChem CID137139798
Molecular FormulaC11H21N5
Molecular Weight223.32 g/mol
Exact Mass223.18
IUPAC NameN,N,6,7-tetramethyl-2-prop-2-enylimino-1,3,6,7-tetrahydro-1,3,5-triazepin-4-amine
SMILESC=CC/N=C1/NC(N(C)C)=NC(C)C(C)N1
InChIInChI=1S/C11H21N5/c1-6-7-12-10-13-8(2)9(3)14-11(15-10)16(4)5/h6,8-9H,1,7H2,2-5H3,(H2,12,13,14,15)
InChIKeyRNIOYVUGHCPMFY-UHFFFAOYSA-N
XLogP0.42
TPSA52.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N,N,6,7-tetramethyl-2-prop-2-enylimino-1,3,6,7-tetrahydro-1,3,5-triazepin-4-amine with MolForge

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

Launch Full Analysis

Related Compounds

2,3-Di(propan-2-yl)-1,1-bis(prop-2-enyl)guanidine
CID 11528677
1,2,3-Tris(prop-2-enyl)-1-propylguanidine
CID 53891653
1,3-Di(propan-2-yl)-2-prop-2-enylguanidine
CID 59816768
1-(1-But-2-enyl-4-methyl-4,5-dihydroimidazol-2-yl)piperazine
CID 90847682
1-[(2S)-2-aminopropyl]-1,3,3-trimethyl-2-[(E)-prop-1-enyl]guanidine
CID 118490285
1,1,2-trimethyl-3-(N-propan-2-yl-N'-prop-2-enylcarbamimidoyl)guanidine
CID 131992426
N,N,6,6-tetramethyl-2-prop-2-enylimino-1,3-dihydro-1,3,5-triazin-4-amine
CID 135433419
N,N,2-trimethyl-6-prop-2-enylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine
CID 135626028
4-N,4-N,6,6-tetramethyl-2-N-prop-2-enyl-1H-1,3,5-triazine-2,4-diamine
CID 176523233
4-N,4-N,2-trimethyl-6-N-prop-2-enyl-1,2-dihydro-1,3,5-triazine-4,6-diamine
CID 176537735
N,N-dimethyl-2,4-diazabicyclo[3.2.0]hepta-2,6-dien-3-amine
CID 21579054
2-[2-(4-Methylpiperazin-1-yl)propyl]-1-prop-2-enylguanidine
CID 54738276

Frequently Asked Questions

What is the IUPAC name of N,N,6,7-tetramethyl-2-prop-2-enylimino-1,3,6,7-tetrahydro-1,3,5-triazepin-4-amine?
The IUPAC name of N,N,6,7-tetramethyl-2-prop-2-enylimino-1,3,6,7-tetrahydro-1,3,5-triazepin-4-amine (CID 137139798) is N,N,6,7-tetramethyl-2-prop-2-enylimino-1,3,6,7-tetrahydro-1,3,5-triazepin-4-amine.
What is the SMILES notation for N,N,6,7-tetramethyl-2-prop-2-enylimino-1,3,6,7-tetrahydro-1,3,5-triazepin-4-amine?
The canonical SMILES for N,N,6,7-tetramethyl-2-prop-2-enylimino-1,3,6,7-tetrahydro-1,3,5-triazepin-4-amine is C=CC/N=C1/NC(N(C)C)=NC(C)C(C)N1.
What is the InChIKey of N,N,6,7-tetramethyl-2-prop-2-enylimino-1,3,6,7-tetrahydro-1,3,5-triazepin-4-amine?
The InChIKey is RNIOYVUGHCPMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5/c1-6-7-12-10-13-8(2)9(3)14-11(15-10)16(4)5/h6,8-9H,1,7H2,2-5H3,(H2,12,13,14,15).
What are the key properties of N,N,6,7-tetramethyl-2-prop-2-enylimino-1,3,6,7-tetrahydro-1,3,5-triazepin-4-amine?
N,N,6,7-tetramethyl-2-prop-2-enylimino-1,3,6,7-tetrahydro-1,3,5-triazepin-4-amine has a molecular weight of 223.32 g/mol, XLogP of 0.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,6,7-tetramethyl-2-prop-2-enylimino-1,3,6,7-tetrahydro-1,3,5-triazepin-4-amine is sourced from PubChem (CID 137139798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).