N,N-dimethyl-2-[2,3,4-tri(pentan-2-yl)cyclopenta-1,3-dien-1-yl]ethanamine

C24H45N — CID 23295280

IUPACN,N-dimethyl-2-[2,3,4-tri(pentan-2-yl)cyclopenta-1,3-dien-1-yl]ethanamine
SMILESCCCC(C)C1=C(C(C)CCC)C(C(C)CCC)=C(CCN(C)C)C1
InChIInChI=1S/C24H45N/c1-9-12-18(4)22-17-21(15-16-25(7)8)23(19(5)13-10-2)24(22)20(6)14-11-3/h18-20H,9-17H2,1-8H3
InChIKeyBREAHIDYHATNTE-UHFFFAOYSA-N
MW347.63 g/mol
LogP7.24
Rot. Bonds12

About N,N-dimethyl-2-[2,3,4-tri(pentan-2-yl)cyclopenta-1,3-dien-1-yl]ethanamine

N,N-dimethyl-2-[2,3,4-tri(pentan-2-yl)cyclopenta-1,3-dien-1-yl]ethanamine (PubChem CID 23295280) has the molecular formula C24H45N and a molecular weight of 347.63 g/mol. Its IUPAC name is N,N-dimethyl-2-[2,3,4-tri(pentan-2-yl)cyclopenta-1,3-dien-1-yl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[2,3,4-tri(pentan-2-yl)cyclopenta-1,3-dien-1-yl]ethanamine
PubChem CID23295280
Molecular FormulaC24H45N
Molecular Weight347.63 g/mol
Exact Mass347.36
IUPAC NameN,N-dimethyl-2-[2,3,4-tri(pentan-2-yl)cyclopenta-1,3-dien-1-yl]ethanamine
SMILESCCCC(C)C1=C(C(C)CCC)C(C(C)CCC)=C(CCN(C)C)C1
InChIInChI=1S/C24H45N/c1-9-12-18(4)22-17-21(15-16-25(7)8)23(19(5)13-10-2)24(22)20(6)14-11-3/h18-20H,9-17H2,1-8H3
InChIKeyBREAHIDYHATNTE-UHFFFAOYSA-N
XLogP7.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.63
LogP ≤ 57.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[2,3,4-tri(pentan-2-yl)cyclopenta-1,3-dien-1-yl]ethanamine?
The IUPAC name of N,N-dimethyl-2-[2,3,4-tri(pentan-2-yl)cyclopenta-1,3-dien-1-yl]ethanamine (CID 23295280) is N,N-dimethyl-2-[2,3,4-tri(pentan-2-yl)cyclopenta-1,3-dien-1-yl]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[2,3,4-tri(pentan-2-yl)cyclopenta-1,3-dien-1-yl]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[2,3,4-tri(pentan-2-yl)cyclopenta-1,3-dien-1-yl]ethanamine is CCCC(C)C1=C(C(C)CCC)C(C(C)CCC)=C(CCN(C)C)C1.
What is the InChIKey of N,N-dimethyl-2-[2,3,4-tri(pentan-2-yl)cyclopenta-1,3-dien-1-yl]ethanamine?
The InChIKey is BREAHIDYHATNTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H45N/c1-9-12-18(4)22-17-21(15-16-25(7)8)23(19(5)13-10-2)24(22)20(6)14-11-3/h18-20H,9-17H2,1-8H3.
What are the key properties of N,N-dimethyl-2-[2,3,4-tri(pentan-2-yl)cyclopenta-1,3-dien-1-yl]ethanamine?
N,N-dimethyl-2-[2,3,4-tri(pentan-2-yl)cyclopenta-1,3-dien-1-yl]ethanamine has a molecular weight of 347.63 g/mol, XLogP of 7.24, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[2,3,4-tri(pentan-2-yl)cyclopenta-1,3-dien-1-yl]ethanamine is sourced from PubChem (CID 23295280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).