3-methyl-5-pentyl-1,2,6,7-tetrahydro-1,3-diazepin-4-amine

C11H23N3 — CID 174305498

IUPAC3-methyl-5-pentyl-1,2,6,7-tetrahydro-1,3-diazepin-4-amine
SMILESCCCCCC1=C(N)N(C)CNCC1
InChIInChI=1S/C11H23N3/c1-3-4-5-6-10-7-8-13-9-14(2)11(10)12/h13H,3-9,12H2,1-2H3
InChIKeyPPPFXGVRXNQKSO-UHFFFAOYSA-N
MW197.33 g/mol
LogP1.62
Rot. Bonds4

About 3-methyl-5-pentyl-1,2,6,7-tetrahydro-1,3-diazepin-4-amine

3-methyl-5-pentyl-1,2,6,7-tetrahydro-1,3-diazepin-4-amine (PubChem CID 174305498) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is 3-methyl-5-pentyl-1,2,6,7-tetrahydro-1,3-diazepin-4-amine.

Molecular Properties

Compound Name3-methyl-5-pentyl-1,2,6,7-tetrahydro-1,3-diazepin-4-amine
PubChem CID174305498
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC Name3-methyl-5-pentyl-1,2,6,7-tetrahydro-1,3-diazepin-4-amine
SMILESCCCCCC1=C(N)N(C)CNCC1
InChIInChI=1S/C11H23N3/c1-3-4-5-6-10-7-8-13-9-14(2)11(10)12/h13H,3-9,12H2,1-2H3
InChIKeyPPPFXGVRXNQKSO-UHFFFAOYSA-N
XLogP1.62
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-methyl-5-pentyl-1,2,6,7-tetrahydro-1,3-diazepin-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

5-[(Dimethylamino)methyl]-1,2,3,4-tetrahydropyridin-6-amine
CID 117805529
1-cyclopropylidene-N'-heptyl-N-propylmethanediamine
CID 137414423
N-methyl-5-propyl-1,2,3,4-tetrahydropyridin-6-amine
CID 142348248
(2Z)-3-methyl-1-azacyclododec-2-en-2-amine
CID 155373345
1,9-dimethyl-3,4,5,6,7,8-hexahydro-2H-pyrido[2,3-b]azepine
CID 167259119
azane;2-methyl-1-N'-octadecylpent-1-ene-1,1-diamine
CID 173230015
azane;2-methyl-1-N'-tetradecylpent-1-ene-1,1-diamine
CID 173230055
2-methyl-1-N'-octadecylpent-1-ene-1,1-diamine
CID 173230016
2-methyl-1-N'-tetradecylpent-1-ene-1,1-diamine
CID 173230056

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-pentyl-1,2,6,7-tetrahydro-1,3-diazepin-4-amine?
The IUPAC name of 3-methyl-5-pentyl-1,2,6,7-tetrahydro-1,3-diazepin-4-amine (CID 174305498) is 3-methyl-5-pentyl-1,2,6,7-tetrahydro-1,3-diazepin-4-amine.
What is the SMILES notation for 3-methyl-5-pentyl-1,2,6,7-tetrahydro-1,3-diazepin-4-amine?
The canonical SMILES for 3-methyl-5-pentyl-1,2,6,7-tetrahydro-1,3-diazepin-4-amine is CCCCCC1=C(N)N(C)CNCC1.
What is the InChIKey of 3-methyl-5-pentyl-1,2,6,7-tetrahydro-1,3-diazepin-4-amine?
The InChIKey is PPPFXGVRXNQKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3/c1-3-4-5-6-10-7-8-13-9-14(2)11(10)12/h13H,3-9,12H2,1-2H3.
What are the key properties of 3-methyl-5-pentyl-1,2,6,7-tetrahydro-1,3-diazepin-4-amine?
3-methyl-5-pentyl-1,2,6,7-tetrahydro-1,3-diazepin-4-amine has a molecular weight of 197.33 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-pentyl-1,2,6,7-tetrahydro-1,3-diazepin-4-amine is sourced from PubChem (CID 174305498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).