N,N-dimethyl-1-(2,3,4,5-tetrapropylcyclopenta-2,4-dien-1-yl)ethanamine

C21H39N — CID 23297484

IUPACN,N-dimethyl-1-(2,3,4,5-tetrapropylcyclopenta-2,4-dien-1-yl)ethanamine
SMILESCCCC1=C(CCC)C(C(C)N(C)C)C(CCC)=C1CCC
InChIInChI=1S/C21H39N/c1-8-12-17-18(13-9-2)20(15-11-4)21(16(5)22(6)7)19(17)14-10-3/h16,21H,8-15H2,1-7H3
InChIKeyHQMNRTTUNUBFEO-UHFFFAOYSA-N
MW305.55 g/mol
LogP6.36
Rot. Bonds10

About N,N-dimethyl-1-(2,3,4,5-tetrapropylcyclopenta-2,4-dien-1-yl)ethanamine

N,N-dimethyl-1-(2,3,4,5-tetrapropylcyclopenta-2,4-dien-1-yl)ethanamine (PubChem CID 23297484) has the molecular formula C21H39N and a molecular weight of 305.55 g/mol. Its IUPAC name is N,N-dimethyl-1-(2,3,4,5-tetrapropylcyclopenta-2,4-dien-1-yl)ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(2,3,4,5-tetrapropylcyclopenta-2,4-dien-1-yl)ethanamine
PubChem CID23297484
Molecular FormulaC21H39N
Molecular Weight305.55 g/mol
Exact Mass305.31
IUPAC NameN,N-dimethyl-1-(2,3,4,5-tetrapropylcyclopenta-2,4-dien-1-yl)ethanamine
SMILESCCCC1=C(CCC)C(C(C)N(C)C)C(CCC)=C1CCC
InChIInChI=1S/C21H39N/c1-8-12-17-18(13-9-2)20(15-11-4)21(16(5)22(6)7)19(17)14-10-3/h16,21H,8-15H2,1-7H3
InChIKeyHQMNRTTUNUBFEO-UHFFFAOYSA-N
XLogP6.36
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.55
LogP ≤ 56.36
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-tetrapropylcyclopenta-2,4-dien-1-yl)ethanamine?
The IUPAC name of N,N-dimethyl-1-(2,3,4,5-tetrapropylcyclopenta-2,4-dien-1-yl)ethanamine (CID 23297484) is N,N-dimethyl-1-(2,3,4,5-tetrapropylcyclopenta-2,4-dien-1-yl)ethanamine.
What is the SMILES notation for N,N-dimethyl-1-(2,3,4,5-tetrapropylcyclopenta-2,4-dien-1-yl)ethanamine?
The canonical SMILES for N,N-dimethyl-1-(2,3,4,5-tetrapropylcyclopenta-2,4-dien-1-yl)ethanamine is CCCC1=C(CCC)C(C(C)N(C)C)C(CCC)=C1CCC.
What is the InChIKey of N,N-dimethyl-1-(2,3,4,5-tetrapropylcyclopenta-2,4-dien-1-yl)ethanamine?
The InChIKey is HQMNRTTUNUBFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H39N/c1-8-12-17-18(13-9-2)20(15-11-4)21(16(5)22(6)7)19(17)14-10-3/h16,21H,8-15H2,1-7H3.
What are the key properties of N,N-dimethyl-1-(2,3,4,5-tetrapropylcyclopenta-2,4-dien-1-yl)ethanamine?
N,N-dimethyl-1-(2,3,4,5-tetrapropylcyclopenta-2,4-dien-1-yl)ethanamine has a molecular weight of 305.55 g/mol, XLogP of 6.36, 10 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-tetrapropylcyclopenta-2,4-dien-1-yl)ethanamine is sourced from PubChem (CID 23297484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).