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

C24H45N — CID 23295288

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

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

N,N-dimethyl-2-[2,3,4-tri(pentan-3-yl)cyclopenta-1,3-dien-1-yl]ethanamine (PubChem CID 23295288) 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-3-yl)cyclopenta-1,3-dien-1-yl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[2,3,4-tri(pentan-3-yl)cyclopenta-1,3-dien-1-yl]ethanamine
PubChem CID23295288
Molecular FormulaC24H45N
Molecular Weight347.63 g/mol
Exact Mass347.36
IUPAC NameN,N-dimethyl-2-[2,3,4-tri(pentan-3-yl)cyclopenta-1,3-dien-1-yl]ethanamine
SMILESCCC(CC)C1=C(C(CC)CC)C(C(CC)CC)=C(CCN(C)C)C1
InChIInChI=1S/C24H45N/c1-9-18(10-2)22-17-21(15-16-25(7)8)23(19(11-3)12-4)24(22)20(13-5)14-6/h18-20H,9-17H2,1-8H3
InChIKeyOMCGRTZULBUGJW-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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Related Compounds

(1-(2-(N,N-dimethylamino)ethyl)-2,3,4,5-tetramethylcyclopentadien-5-yl)trimethylstannane
CID 129687175
2,3-Dihydro-2-azasqualene
CID 129725423
CID 135082320
CID 135082320
N,N-dimethyl-2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethanamine
CID 11008786
(Dimethylaminoethyl)tri(2-propyl)cyclopentadiene
CID 15501724
3-(2,4-Ditert-butylcyclopenta-2,4-dien-1-yl)propyl-triethylazanium
CID 18341880
6-(2,4-Ditert-butylcyclopenta-2,4-dien-1-yl)hexyl-triethylazanium
CID 18341883
N,N-dimethyl-2-(2,3,4,5-tetrapropylcyclopenta-2,4-dien-1-yl)ethanamine
CID 18783352
(Dimethylaminoethyl)tetraethylcyclopentadiene
CID 18783378
N-decyl-N-[1-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethyl]decan-1-amine
CID 22443858
N-butyl-N-[2-[4,5-di(pentan-3-yl)cyclopenta-1,4-dien-1-yl]ethyl]butan-1-amine
CID 23295272
N-butyl-N-[2-[2,3,4-tri(pentan-2-yl)cyclopenta-1,3-dien-1-yl]ethyl]butan-1-amine
CID 23295278

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[2,3,4-tri(pentan-3-yl)cyclopenta-1,3-dien-1-yl]ethanamine?
The IUPAC name of N,N-dimethyl-2-[2,3,4-tri(pentan-3-yl)cyclopenta-1,3-dien-1-yl]ethanamine (CID 23295288) is N,N-dimethyl-2-[2,3,4-tri(pentan-3-yl)cyclopenta-1,3-dien-1-yl]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[2,3,4-tri(pentan-3-yl)cyclopenta-1,3-dien-1-yl]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[2,3,4-tri(pentan-3-yl)cyclopenta-1,3-dien-1-yl]ethanamine is CCC(CC)C1=C(C(CC)CC)C(C(CC)CC)=C(CCN(C)C)C1.
What is the InChIKey of N,N-dimethyl-2-[2,3,4-tri(pentan-3-yl)cyclopenta-1,3-dien-1-yl]ethanamine?
The InChIKey is OMCGRTZULBUGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H45N/c1-9-18(10-2)22-17-21(15-16-25(7)8)23(19(11-3)12-4)24(22)20(13-5)14-6/h18-20H,9-17H2,1-8H3.
What are the key properties of N,N-dimethyl-2-[2,3,4-tri(pentan-3-yl)cyclopenta-1,3-dien-1-yl]ethanamine?
N,N-dimethyl-2-[2,3,4-tri(pentan-3-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-3-yl)cyclopenta-1,3-dien-1-yl]ethanamine is sourced from PubChem (CID 23295288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).