1-[2,3-bis(2-phenylpropyl)cyclopenta-1,3-dien-1-yl]-N,N-dimethylethanamine

C27H35N — CID 18783369

IUPAC1-[2,3-bis(2-phenylpropyl)cyclopenta-1,3-dien-1-yl]-N,N-dimethylethanamine
SMILESCC(CC1=CCC(C(C)N(C)C)=C1CC(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C27H35N/c1-20(23-12-8-6-9-13-23)18-25-16-17-26(22(3)28(4)5)27(25)19-21(2)24-14-10-7-11-15-24/h6-16,20-22H,17-19H2,1-5H3
InChIKeyJHFPFCPNPGMNOV-UHFFFAOYSA-N
MW373.58 g/mol
LogP6.95
Rot. Bonds8

About 1-[2,3-bis(2-phenylpropyl)cyclopenta-1,3-dien-1-yl]-N,N-dimethylethanamine

1-[2,3-bis(2-phenylpropyl)cyclopenta-1,3-dien-1-yl]-N,N-dimethylethanamine (PubChem CID 18783369) has the molecular formula C27H35N and a molecular weight of 373.58 g/mol. Its IUPAC name is 1-[2,3-bis(2-phenylpropyl)cyclopenta-1,3-dien-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name1-[2,3-bis(2-phenylpropyl)cyclopenta-1,3-dien-1-yl]-N,N-dimethylethanamine
PubChem CID18783369
Molecular FormulaC27H35N
Molecular Weight373.58 g/mol
Exact Mass373.28
IUPAC Name1-[2,3-bis(2-phenylpropyl)cyclopenta-1,3-dien-1-yl]-N,N-dimethylethanamine
SMILESCC(CC1=CCC(C(C)N(C)C)=C1CC(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C27H35N/c1-20(23-12-8-6-9-13-23)18-25-16-17-26(22(3)28(4)5)27(25)19-21(2)24-14-10-7-11-15-24/h6-16,20-22H,17-19H2,1-5H3
InChIKeyJHFPFCPNPGMNOV-UHFFFAOYSA-N
XLogP6.95
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.58
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-N,N-dimethyl-1-phenylethanamine
CID 2724276
(1S)-N,N-dimethyl-1-phenylethanamine;hydrochloride
CID 141121906
1,4-bis(2-phenylpropyl)benzene
CID 19376086
[(2R)-1-phenylpropan-2-yl]benzene
CID 11138041
(2R)-N,N-dimethyl-2-phenylpropan-1-amine
CID 59474206
ethane;1-phenylpropan-2-ylbenzene
CID 142097323
N-(cyclopentylmethyl)-N-methyl-1-phenylethanamine
CID 78880741
(1S)-2-[methyl-[(2S)-2-phenylpropyl]amino]-1-phenylethanol
CID 40768444
(1S)-N-benzyl-N-methyl-1-phenylethanamine
CID 122522292
(1S)-N-methyl-1-phenyl-N-(trimethylsilylmethyl)ethanamine
CID 141001735
N-methyl-1-phenyl-N-(trimethylsilylmethyl)ethanamine
CID 15113036
(2R)-2-[methyl-[(1R)-1-phenylethyl]amino]-2-phenylethanol
CID 14738807

Frequently Asked Questions

What is the IUPAC name of 1-[2,3-bis(2-phenylpropyl)cyclopenta-1,3-dien-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 1-[2,3-bis(2-phenylpropyl)cyclopenta-1,3-dien-1-yl]-N,N-dimethylethanamine (CID 18783369) is 1-[2,3-bis(2-phenylpropyl)cyclopenta-1,3-dien-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 1-[2,3-bis(2-phenylpropyl)cyclopenta-1,3-dien-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 1-[2,3-bis(2-phenylpropyl)cyclopenta-1,3-dien-1-yl]-N,N-dimethylethanamine is CC(CC1=CCC(C(C)N(C)C)=C1CC(C)c1ccccc1)c1ccccc1.
What is the InChIKey of 1-[2,3-bis(2-phenylpropyl)cyclopenta-1,3-dien-1-yl]-N,N-dimethylethanamine?
The InChIKey is JHFPFCPNPGMNOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N/c1-20(23-12-8-6-9-13-23)18-25-16-17-26(22(3)28(4)5)27(25)19-21(2)24-14-10-7-11-15-24/h6-16,20-22H,17-19H2,1-5H3.
What are the key properties of 1-[2,3-bis(2-phenylpropyl)cyclopenta-1,3-dien-1-yl]-N,N-dimethylethanamine?
1-[2,3-bis(2-phenylpropyl)cyclopenta-1,3-dien-1-yl]-N,N-dimethylethanamine has a molecular weight of 373.58 g/mol, XLogP of 6.95, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,3-bis(2-phenylpropyl)cyclopenta-1,3-dien-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 18783369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).