N,N-dimethyl-2-[2,4,5-tri(propan-2-yl)cyclopenta-1,3-dien-1-yl]ethanamine

C18H33N — CID 56977196

IUPACN,N-dimethyl-2-[2,4,5-tri(propan-2-yl)cyclopenta-1,3-dien-1-yl]ethanamine
SMILESCC(C)C1=CC(C(C)C)=C(CCN(C)C)C1C(C)C
InChIInChI=1S/C18H33N/c1-12(2)16-11-17(13(3)4)18(14(5)6)15(16)9-10-19(7)8/h11-14,18H,9-10H2,1-8H3
InChIKeyFVJAUUBYRFNJPT-UHFFFAOYSA-N
MW263.47 g/mol
LogP4.76
Rot. Bonds6

About N,N-dimethyl-2-[2,4,5-tri(propan-2-yl)cyclopenta-1,3-dien-1-yl]ethanamine

N,N-dimethyl-2-[2,4,5-tri(propan-2-yl)cyclopenta-1,3-dien-1-yl]ethanamine (PubChem CID 56977196) has the molecular formula C18H33N and a molecular weight of 263.47 g/mol. Its IUPAC name is N,N-dimethyl-2-[2,4,5-tri(propan-2-yl)cyclopenta-1,3-dien-1-yl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[2,4,5-tri(propan-2-yl)cyclopenta-1,3-dien-1-yl]ethanamine
PubChem CID56977196
Molecular FormulaC18H33N
Molecular Weight263.47 g/mol
Exact Mass263.26
IUPAC NameN,N-dimethyl-2-[2,4,5-tri(propan-2-yl)cyclopenta-1,3-dien-1-yl]ethanamine
SMILESCC(C)C1=CC(C(C)C)=C(CCN(C)C)C1C(C)C
InChIInChI=1S/C18H33N/c1-12(2)16-11-17(13(3)4)18(14(5)6)15(16)9-10-19(7)8/h11-14,18H,9-10H2,1-8H3
InChIKeyFVJAUUBYRFNJPT-UHFFFAOYSA-N
XLogP4.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.47
LogP ≤ 54.76
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-[2,4,5-tri(propan-2-yl)cyclopenta-1,3-dien-1-yl]ethanamine?
The IUPAC name of N,N-dimethyl-2-[2,4,5-tri(propan-2-yl)cyclopenta-1,3-dien-1-yl]ethanamine (CID 56977196) is N,N-dimethyl-2-[2,4,5-tri(propan-2-yl)cyclopenta-1,3-dien-1-yl]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[2,4,5-tri(propan-2-yl)cyclopenta-1,3-dien-1-yl]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[2,4,5-tri(propan-2-yl)cyclopenta-1,3-dien-1-yl]ethanamine is CC(C)C1=CC(C(C)C)=C(CCN(C)C)C1C(C)C.
What is the InChIKey of N,N-dimethyl-2-[2,4,5-tri(propan-2-yl)cyclopenta-1,3-dien-1-yl]ethanamine?
The InChIKey is FVJAUUBYRFNJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N/c1-12(2)16-11-17(13(3)4)18(14(5)6)15(16)9-10-19(7)8/h11-14,18H,9-10H2,1-8H3.
What are the key properties of N,N-dimethyl-2-[2,4,5-tri(propan-2-yl)cyclopenta-1,3-dien-1-yl]ethanamine?
N,N-dimethyl-2-[2,4,5-tri(propan-2-yl)cyclopenta-1,3-dien-1-yl]ethanamine has a molecular weight of 263.47 g/mol, XLogP of 4.76, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[2,4,5-tri(propan-2-yl)cyclopenta-1,3-dien-1-yl]ethanamine is sourced from PubChem (CID 56977196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).