N,N-dimethyl-N'-prop-1-en-2-yl-N'-(2,4,4-trimethylcyclopenten-1-yl)ethane-1,2-diamine

C15H28N2 — CID 123502880

IUPACN,N-dimethyl-N'-prop-1-en-2-yl-N'-(2,4,4-trimethylcyclopenten-1-yl)ethane-1,2-diamine
SMILESC=C(C)N(CCN(C)C)C1=C(C)CC(C)(C)C1
InChIInChI=1S/C15H28N2/c1-12(2)17(9-8-16(6)7)14-11-15(4,5)10-13(14)3/h1,8-11H2,2-7H3
InChIKeyRPGQZXTWQLYYEF-UHFFFAOYSA-N
MW236.40 g/mol
LogP3.48
Rot. Bonds5

About N,N-dimethyl-N'-prop-1-en-2-yl-N'-(2,4,4-trimethylcyclopenten-1-yl)ethane-1,2-diamine

N,N-dimethyl-N'-prop-1-en-2-yl-N'-(2,4,4-trimethylcyclopenten-1-yl)ethane-1,2-diamine (PubChem CID 123502880) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is N,N-dimethyl-N'-prop-1-en-2-yl-N'-(2,4,4-trimethylcyclopenten-1-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N-dimethyl-N'-prop-1-en-2-yl-N'-(2,4,4-trimethylcyclopenten-1-yl)ethane-1,2-diamine
PubChem CID123502880
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC NameN,N-dimethyl-N'-prop-1-en-2-yl-N'-(2,4,4-trimethylcyclopenten-1-yl)ethane-1,2-diamine
SMILESC=C(C)N(CCN(C)C)C1=C(C)CC(C)(C)C1
InChIInChI=1S/C15H28N2/c1-12(2)17(9-8-16(6)7)14-11-15(4,5)10-13(14)3/h1,8-11H2,2-7H3
InChIKeyRPGQZXTWQLYYEF-UHFFFAOYSA-N
XLogP3.48
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-N'-prop-1-en-2-yl-N'-(2,4,4-trimethylcyclopenten-1-yl)ethane-1,2-diamine?
The IUPAC name of N,N-dimethyl-N'-prop-1-en-2-yl-N'-(2,4,4-trimethylcyclopenten-1-yl)ethane-1,2-diamine (CID 123502880) is N,N-dimethyl-N'-prop-1-en-2-yl-N'-(2,4,4-trimethylcyclopenten-1-yl)ethane-1,2-diamine.
What is the SMILES notation for N,N-dimethyl-N'-prop-1-en-2-yl-N'-(2,4,4-trimethylcyclopenten-1-yl)ethane-1,2-diamine?
The canonical SMILES for N,N-dimethyl-N'-prop-1-en-2-yl-N'-(2,4,4-trimethylcyclopenten-1-yl)ethane-1,2-diamine is C=C(C)N(CCN(C)C)C1=C(C)CC(C)(C)C1.
What is the InChIKey of N,N-dimethyl-N'-prop-1-en-2-yl-N'-(2,4,4-trimethylcyclopenten-1-yl)ethane-1,2-diamine?
The InChIKey is RPGQZXTWQLYYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2/c1-12(2)17(9-8-16(6)7)14-11-15(4,5)10-13(14)3/h1,8-11H2,2-7H3.
What are the key properties of N,N-dimethyl-N'-prop-1-en-2-yl-N'-(2,4,4-trimethylcyclopenten-1-yl)ethane-1,2-diamine?
N,N-dimethyl-N'-prop-1-en-2-yl-N'-(2,4,4-trimethylcyclopenten-1-yl)ethane-1,2-diamine has a molecular weight of 236.40 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-prop-1-en-2-yl-N'-(2,4,4-trimethylcyclopenten-1-yl)ethane-1,2-diamine is sourced from PubChem (CID 123502880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).