N,N-dimethyl-1-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)propan-1-amine

C14H25N — CID 67592199

IUPACN,N-dimethyl-1-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)propan-1-amine
SMILESCCC(C1=C(C)C(C)=C(C)C1C)N(C)C
InChIInChI=1S/C14H25N/c1-8-13(15(6)7)14-11(4)9(2)10(3)12(14)5/h11,13H,8H2,1-7H3
InChIKeyBMEMHDZLSQPWBU-UHFFFAOYSA-N
MW207.36 g/mol
LogP3.63
Rot. Bonds3

About N,N-dimethyl-1-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)propan-1-amine

N,N-dimethyl-1-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)propan-1-amine (PubChem CID 67592199) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is N,N-dimethyl-1-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)propan-1-amine
PubChem CID67592199
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC NameN,N-dimethyl-1-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)propan-1-amine
SMILESCCC(C1=C(C)C(C)=C(C)C1C)N(C)C
InChIInChI=1S/C14H25N/c1-8-13(15(6)7)14-11(4)9(2)10(3)12(14)5/h11,13H,8H2,1-7H3
InChIKeyBMEMHDZLSQPWBU-UHFFFAOYSA-N
XLogP3.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)propan-1-amine?
The IUPAC name of N,N-dimethyl-1-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)propan-1-amine (CID 67592199) is N,N-dimethyl-1-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)propan-1-amine.
What is the SMILES notation for N,N-dimethyl-1-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)propan-1-amine?
The canonical SMILES for N,N-dimethyl-1-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)propan-1-amine is CCC(C1=C(C)C(C)=C(C)C1C)N(C)C.
What is the InChIKey of N,N-dimethyl-1-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)propan-1-amine?
The InChIKey is BMEMHDZLSQPWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N/c1-8-13(15(6)7)14-11(4)9(2)10(3)12(14)5/h11,13H,8H2,1-7H3.
What are the key properties of N,N-dimethyl-1-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)propan-1-amine?
N,N-dimethyl-1-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)propan-1-amine has a molecular weight of 207.36 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)propan-1-amine is sourced from PubChem (CID 67592199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).