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

C21H39N — CID 23295283

IUPACN,N-dimethyl-1-(2,3,4-tributylcyclopenta-1,3-dien-1-yl)ethanamine
SMILESCCCCC1=C(CCCC)C(CCCC)=C(C(C)N(C)C)C1
InChIInChI=1S/C21H39N/c1-7-10-13-18-16-21(17(4)22(5)6)20(15-12-9-3)19(18)14-11-8-2/h17H,7-16H2,1-6H3
InChIKeyNDPLOFSFMYCHNQ-UHFFFAOYSA-N
MW305.55 g/mol
LogP6.50
Rot. Bonds11

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

N,N-dimethyl-1-(2,3,4-tributylcyclopenta-1,3-dien-1-yl)ethanamine (PubChem CID 23295283) 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-tributylcyclopenta-1,3-dien-1-yl)ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(2,3,4-tributylcyclopenta-1,3-dien-1-yl)ethanamine
PubChem CID23295283
Molecular FormulaC21H39N
Molecular Weight305.55 g/mol
Exact Mass305.31
IUPAC NameN,N-dimethyl-1-(2,3,4-tributylcyclopenta-1,3-dien-1-yl)ethanamine
SMILESCCCCC1=C(CCCC)C(CCCC)=C(C(C)N(C)C)C1
InChIInChI=1S/C21H39N/c1-7-10-13-18-16-21(17(4)22(5)6)20(15-12-9-3)19(18)14-11-8-2/h17H,7-16H2,1-6H3
InChIKeyNDPLOFSFMYCHNQ-UHFFFAOYSA-N
XLogP6.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.55
LogP ≤ 56.50
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-tributylcyclopenta-1,3-dien-1-yl)ethanamine?
The IUPAC name of N,N-dimethyl-1-(2,3,4-tributylcyclopenta-1,3-dien-1-yl)ethanamine (CID 23295283) is N,N-dimethyl-1-(2,3,4-tributylcyclopenta-1,3-dien-1-yl)ethanamine.
What is the SMILES notation for N,N-dimethyl-1-(2,3,4-tributylcyclopenta-1,3-dien-1-yl)ethanamine?
The canonical SMILES for N,N-dimethyl-1-(2,3,4-tributylcyclopenta-1,3-dien-1-yl)ethanamine is CCCCC1=C(CCCC)C(CCCC)=C(C(C)N(C)C)C1.
What is the InChIKey of N,N-dimethyl-1-(2,3,4-tributylcyclopenta-1,3-dien-1-yl)ethanamine?
The InChIKey is NDPLOFSFMYCHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H39N/c1-7-10-13-18-16-21(17(4)22(5)6)20(15-12-9-3)19(18)14-11-8-2/h17H,7-16H2,1-6H3.
What are the key properties of N,N-dimethyl-1-(2,3,4-tributylcyclopenta-1,3-dien-1-yl)ethanamine?
N,N-dimethyl-1-(2,3,4-tributylcyclopenta-1,3-dien-1-yl)ethanamine has a molecular weight of 305.55 g/mol, XLogP of 6.50, 11 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-tributylcyclopenta-1,3-dien-1-yl)ethanamine is sourced from PubChem (CID 23295283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).