N,N,2,2-tetramethyl-N'-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)propane-1,3-diamine

C18H30N2 — CID 43102852

IUPACN,N,2,2-tetramethyl-N'-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)propane-1,3-diamine
SMILESCN(C)CC(C)(C)CNC1CCCCc2ccccc21
InChIInChI=1S/C18H30N2/c1-18(2,14-20(3)4)13-19-17-12-8-6-10-15-9-5-7-11-16(15)17/h5,7,9,11,17,19H,6,8,10,12-14H2,1-4H3
InChIKeyWJSBUGDVWQXRIA-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.63
Rot. Bonds5

About N,N,2,2-tetramethyl-N'-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)propane-1,3-diamine

N,N,2,2-tetramethyl-N'-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)propane-1,3-diamine (PubChem CID 43102852) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N,N,2,2-tetramethyl-N'-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN,N,2,2-tetramethyl-N'-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)propane-1,3-diamine
PubChem CID43102852
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN,N,2,2-tetramethyl-N'-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)propane-1,3-diamine
SMILESCN(C)CC(C)(C)CNC1CCCCc2ccccc21
InChIInChI=1S/C18H30N2/c1-18(2,14-20(3)4)13-19-17-12-8-6-10-15-9-5-7-11-16(15)17/h5,7,9,11,17,19H,6,8,10,12-14H2,1-4H3
InChIKeyWJSBUGDVWQXRIA-UHFFFAOYSA-N
XLogP3.63
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N,N,2,2-tetramethyl-N'-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)propane-1,3-diamine 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

N-(3,4-dihydro-1H-isothiochromen-4-yl)-N',N',2,2-tetramethylpropane-1,3-diamine
CID 43758956
N-(2-methyl-2-methylsulfonylpropyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 79552399
2-methyl-1-methylsulfanyl-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propan-2-ol
CID 103784852
N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-N',N',2,2-tetramethylpropane-1,3-diamine
CID 81300774
N'-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-N,N,2,2-tetramethylpropane-1,3-diamine
CID 81302237
4-methoxy-2-methyl-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)butan-2-ol
CID 103784290
N-[2-[2-(dimethylamino)ethoxy]ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 103096640
N-(cyclopentylmethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 43370921
N-(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-N',N',2,2-tetramethylpropane-1,3-diamine
CID 82686636
N-methyl-5,6,7,8,9,10-hexahydrobenzo[8]annulen-5-amine
CID 123748338
N',N'-diethyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)propane-1,3-diamine
CID 43095798
N-tert-butyl-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propanamide
CID 115889370

Frequently Asked Questions

What is the IUPAC name of N,N,2,2-tetramethyl-N'-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)propane-1,3-diamine?
The IUPAC name of N,N,2,2-tetramethyl-N'-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)propane-1,3-diamine (CID 43102852) is N,N,2,2-tetramethyl-N'-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)propane-1,3-diamine.
What is the SMILES notation for N,N,2,2-tetramethyl-N'-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)propane-1,3-diamine?
The canonical SMILES for N,N,2,2-tetramethyl-N'-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)propane-1,3-diamine is CN(C)CC(C)(C)CNC1CCCCc2ccccc21.
What is the InChIKey of N,N,2,2-tetramethyl-N'-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)propane-1,3-diamine?
The InChIKey is WJSBUGDVWQXRIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-18(2,14-20(3)4)13-19-17-12-8-6-10-15-9-5-7-11-16(15)17/h5,7,9,11,17,19H,6,8,10,12-14H2,1-4H3.
What are the key properties of N,N,2,2-tetramethyl-N'-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)propane-1,3-diamine?
N,N,2,2-tetramethyl-N'-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)propane-1,3-diamine has a molecular weight of 274.45 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2,2-tetramethyl-N'-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)propane-1,3-diamine is sourced from PubChem (CID 43102852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).