N-[cyclopropyl-(4-methylphenyl)methyl]-N',N',2,2-tetramethylpropane-1,3-diamine

C18H30N2 — CID 43758900

IUPACN-[cyclopropyl-(4-methylphenyl)methyl]-N',N',2,2-tetramethylpropane-1,3-diamine
SMILESCc1ccc(C(NCC(C)(C)CN(C)C)C2CC2)cc1
InChIInChI=1S/C18H30N2/c1-14-6-8-15(9-7-14)17(16-10-11-16)19-12-18(2,3)13-20(4)5/h6-9,16-17,19H,10-13H2,1-5H3
InChIKeyRQECBJNWGATXPY-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.62
Rot. Bonds7

About N-[cyclopropyl-(4-methylphenyl)methyl]-N',N',2,2-tetramethylpropane-1,3-diamine

N-[cyclopropyl-(4-methylphenyl)methyl]-N',N',2,2-tetramethylpropane-1,3-diamine (PubChem CID 43758900) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-[cyclopropyl-(4-methylphenyl)methyl]-N',N',2,2-tetramethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[cyclopropyl-(4-methylphenyl)methyl]-N',N',2,2-tetramethylpropane-1,3-diamine
PubChem CID43758900
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-[cyclopropyl-(4-methylphenyl)methyl]-N',N',2,2-tetramethylpropane-1,3-diamine
SMILESCc1ccc(C(NCC(C)(C)CN(C)C)C2CC2)cc1
InChIInChI=1S/C18H30N2/c1-14-6-8-15(9-7-14)17(16-10-11-16)19-12-18(2,3)13-20(4)5/h6-9,16-17,19H,10-13H2,1-5H3
InChIKeyRQECBJNWGATXPY-UHFFFAOYSA-N
XLogP3.62
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(4-methylphenyl)methyl]-N',N',2,2-tetramethylpropane-1,3-diamine?
The IUPAC name of N-[cyclopropyl-(4-methylphenyl)methyl]-N',N',2,2-tetramethylpropane-1,3-diamine (CID 43758900) is N-[cyclopropyl-(4-methylphenyl)methyl]-N',N',2,2-tetramethylpropane-1,3-diamine.
What is the SMILES notation for N-[cyclopropyl-(4-methylphenyl)methyl]-N',N',2,2-tetramethylpropane-1,3-diamine?
The canonical SMILES for N-[cyclopropyl-(4-methylphenyl)methyl]-N',N',2,2-tetramethylpropane-1,3-diamine is Cc1ccc(C(NCC(C)(C)CN(C)C)C2CC2)cc1.
What is the InChIKey of N-[cyclopropyl-(4-methylphenyl)methyl]-N',N',2,2-tetramethylpropane-1,3-diamine?
The InChIKey is RQECBJNWGATXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-14-6-8-15(9-7-14)17(16-10-11-16)19-12-18(2,3)13-20(4)5/h6-9,16-17,19H,10-13H2,1-5H3.
What are the key properties of N-[cyclopropyl-(4-methylphenyl)methyl]-N',N',2,2-tetramethylpropane-1,3-diamine?
N-[cyclopropyl-(4-methylphenyl)methyl]-N',N',2,2-tetramethylpropane-1,3-diamine has a molecular weight of 274.45 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(4-methylphenyl)methyl]-N',N',2,2-tetramethylpropane-1,3-diamine is sourced from PubChem (CID 43758900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).