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

C18H33N — CID 15501724

IUPACN,N-dimethyl-2-[2,3,4-tri(propan-2-yl)cyclopenta-1,3-dien-1-yl]ethanamine
SMILESCC(C)C1=C(C(C)C)C(C(C)C)=C(CCN(C)C)C1
InChIInChI=1S/C18H33N/c1-12(2)16-11-15(9-10-19(7)8)17(13(3)4)18(16)14(5)6/h12-14H,9-11H2,1-8H3
InChIKeyRVUMUBOXGHTMGZ-UHFFFAOYSA-N
MW263.47 g/mol
LogP4.90
Rot. Bonds6

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

N,N-dimethyl-2-[2,3,4-tri(propan-2-yl)cyclopenta-1,3-dien-1-yl]ethanamine (PubChem CID 15501724) has the molecular formula C18H33N and a molecular weight of 263.47 g/mol. Its IUPAC name is N,N-dimethyl-2-[2,3,4-tri(propan-2-yl)cyclopenta-1,3-dien-1-yl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[2,3,4-tri(propan-2-yl)cyclopenta-1,3-dien-1-yl]ethanamine
PubChem CID15501724
Molecular FormulaC18H33N
Molecular Weight263.47 g/mol
Exact Mass263.26
IUPAC NameN,N-dimethyl-2-[2,3,4-tri(propan-2-yl)cyclopenta-1,3-dien-1-yl]ethanamine
SMILESCC(C)C1=C(C(C)C)C(C(C)C)=C(CCN(C)C)C1
InChIInChI=1S/C18H33N/c1-12(2)16-11-15(9-10-19(7)8)17(13(3)4)18(16)14(5)6/h12-14H,9-11H2,1-8H3
InChIKeyRVUMUBOXGHTMGZ-UHFFFAOYSA-N
XLogP4.90
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 ≤ 54.90
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(propan-2-yl)cyclopenta-1,3-dien-1-yl]ethanamine?
The IUPAC name of N,N-dimethyl-2-[2,3,4-tri(propan-2-yl)cyclopenta-1,3-dien-1-yl]ethanamine (CID 15501724) is N,N-dimethyl-2-[2,3,4-tri(propan-2-yl)cyclopenta-1,3-dien-1-yl]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[2,3,4-tri(propan-2-yl)cyclopenta-1,3-dien-1-yl]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[2,3,4-tri(propan-2-yl)cyclopenta-1,3-dien-1-yl]ethanamine is CC(C)C1=C(C(C)C)C(C(C)C)=C(CCN(C)C)C1.
What is the InChIKey of N,N-dimethyl-2-[2,3,4-tri(propan-2-yl)cyclopenta-1,3-dien-1-yl]ethanamine?
The InChIKey is RVUMUBOXGHTMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N/c1-12(2)16-11-15(9-10-19(7)8)17(13(3)4)18(16)14(5)6/h12-14H,9-11H2,1-8H3.
What are the key properties of N,N-dimethyl-2-[2,3,4-tri(propan-2-yl)cyclopenta-1,3-dien-1-yl]ethanamine?
N,N-dimethyl-2-[2,3,4-tri(propan-2-yl)cyclopenta-1,3-dien-1-yl]ethanamine has a molecular weight of 263.47 g/mol, XLogP of 4.90, 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-[2,3,4-tri(propan-2-yl)cyclopenta-1,3-dien-1-yl]ethanamine is sourced from PubChem (CID 15501724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).