N-cyclopropyl-N',2,2-trimethyl-N'-(3-methylphenyl)propane-1,3-diamine

C16H26N2 — CID 62259045

IUPACN-cyclopropyl-N',2,2-trimethyl-N'-(3-methylphenyl)propane-1,3-diamine
SMILESCc1cccc(N(C)CC(C)(C)CNC2CC2)c1
InChIInChI=1S/C16H26N2/c1-13-6-5-7-15(10-13)18(4)12-16(2,3)11-17-14-8-9-14/h5-7,10,14,17H,8-9,11-12H2,1-4H3
InChIKeyXOCOTLOZNFXKKZ-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.21
Rot. Bonds6

About N-cyclopropyl-N',2,2-trimethyl-N'-(3-methylphenyl)propane-1,3-diamine

N-cyclopropyl-N',2,2-trimethyl-N'-(3-methylphenyl)propane-1,3-diamine (PubChem CID 62259045) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-cyclopropyl-N',2,2-trimethyl-N'-(3-methylphenyl)propane-1,3-diamine.

Molecular Properties

Compound NameN-cyclopropyl-N',2,2-trimethyl-N'-(3-methylphenyl)propane-1,3-diamine
PubChem CID62259045
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-cyclopropyl-N',2,2-trimethyl-N'-(3-methylphenyl)propane-1,3-diamine
SMILESCc1cccc(N(C)CC(C)(C)CNC2CC2)c1
InChIInChI=1S/C16H26N2/c1-13-6-5-7-15(10-13)18(4)12-16(2,3)11-17-14-8-9-14/h5-7,10,14,17H,8-9,11-12H2,1-4H3
InChIKeyXOCOTLOZNFXKKZ-UHFFFAOYSA-N
XLogP3.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N',2,2-tetramethyl-N-(3-methylphenyl)propane-1,3-diamine
CID 62258877
N-cyclopropyl-N'-methyl-N'-(3-methylphenyl)pentane-1,5-diamine
CID 55072163
1-N-cyclopropyl-2-N-ethyl-2-N-(3-methylphenyl)butane-1,2-diamine
CID 62427985
N-cyclopropyl-N'-(3,5-dimethylphenyl)-2,2-diethyl-N'-methylpropane-1,3-diamine
CID 63494831
N,N,2,2-tetramethyl-N'-[3-(3-methylphenyl)cyclobutyl]propane-1,3-diamine
CID 43633047
N-cyclopropyl-N'-(3,5-dimethylphenyl)-N',2-dimethyl-2-propylpropane-1,3-diamine
CID 63495021
4-[[2-methyl-2-(3-methylphenyl)propyl]amino]cyclohexan-1-ol
CID 115149642
N-[2-cyclopropyl-2-methyl-3-(3-methylphenyl)propyl]cyclopropanamine
CID 83160248
2-cyclopropyl-3-(N,3-dimethylanilino)-2-(ethylamino)propan-1-ol
CID 64791529
N-[[5-[(cyclopropylamino)methyl]-2-methylfuran-3-yl]methyl]-N,3-dimethylaniline
CID 62434975
2-(cyclopropylamino)-3-(N,3-dimethylanilino)propan-1-ol
CID 64789933
N-butyl-N'-cyclopropyl-2,2-dimethyl-N-phenylpropane-1,3-diamine
CID 64586599

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N',2,2-trimethyl-N'-(3-methylphenyl)propane-1,3-diamine?
The IUPAC name of N-cyclopropyl-N',2,2-trimethyl-N'-(3-methylphenyl)propane-1,3-diamine (CID 62259045) is N-cyclopropyl-N',2,2-trimethyl-N'-(3-methylphenyl)propane-1,3-diamine.
What is the SMILES notation for N-cyclopropyl-N',2,2-trimethyl-N'-(3-methylphenyl)propane-1,3-diamine?
The canonical SMILES for N-cyclopropyl-N',2,2-trimethyl-N'-(3-methylphenyl)propane-1,3-diamine is Cc1cccc(N(C)CC(C)(C)CNC2CC2)c1.
What is the InChIKey of N-cyclopropyl-N',2,2-trimethyl-N'-(3-methylphenyl)propane-1,3-diamine?
The InChIKey is XOCOTLOZNFXKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-13-6-5-7-15(10-13)18(4)12-16(2,3)11-17-14-8-9-14/h5-7,10,14,17H,8-9,11-12H2,1-4H3.
What are the key properties of N-cyclopropyl-N',2,2-trimethyl-N'-(3-methylphenyl)propane-1,3-diamine?
N-cyclopropyl-N',2,2-trimethyl-N'-(3-methylphenyl)propane-1,3-diamine has a molecular weight of 246.40 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N',2,2-trimethyl-N'-(3-methylphenyl)propane-1,3-diamine is sourced from PubChem (CID 62259045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).