N-[2-[3-[2-(9H-fluoren-9-yl)propan-2-yl]cyclopenta-1,4-dien-1-yl]ethyl]-N-propan-2-ylpropan-2-amine

C29H37N — CID 101061136

IUPACN-[2-[3-[2-(9H-fluoren-9-yl)propan-2-yl]cyclopenta-1,4-dien-1-yl]ethyl]-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(CCC1=CC(C(C)(C)C2c3ccccc3-c3ccccc32)C=C1)C(C)C
InChIInChI=1S/C29H37N/c1-20(2)30(21(3)4)18-17-22-15-16-23(19-22)29(5,6)28-26-13-9-7-11-24(26)25-12-8-10-14-27(25)28/h7-16,19-21,23,28H,17-18H2,1-6H3
InChIKeyCMCPEXRJQPWXBU-UHFFFAOYSA-N
MW399.62 g/mol
LogP7.45
Rot. Bonds7

About N-[2-[3-[2-(9H-fluoren-9-yl)propan-2-yl]cyclopenta-1,4-dien-1-yl]ethyl]-N-propan-2-ylpropan-2-amine

N-[2-[3-[2-(9H-fluoren-9-yl)propan-2-yl]cyclopenta-1,4-dien-1-yl]ethyl]-N-propan-2-ylpropan-2-amine (PubChem CID 101061136) has the molecular formula C29H37N and a molecular weight of 399.62 g/mol. Its IUPAC name is N-[2-[3-[2-(9H-fluoren-9-yl)propan-2-yl]cyclopenta-1,4-dien-1-yl]ethyl]-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[2-[3-[2-(9H-fluoren-9-yl)propan-2-yl]cyclopenta-1,4-dien-1-yl]ethyl]-N-propan-2-ylpropan-2-amine
PubChem CID101061136
Molecular FormulaC29H37N
Molecular Weight399.62 g/mol
Exact Mass399.29
IUPAC NameN-[2-[3-[2-(9H-fluoren-9-yl)propan-2-yl]cyclopenta-1,4-dien-1-yl]ethyl]-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(CCC1=CC(C(C)(C)C2c3ccccc3-c3ccccc32)C=C1)C(C)C
InChIInChI=1S/C29H37N/c1-20(2)30(21(3)4)18-17-22-15-16-23(19-22)29(5,6)28-26-13-9-7-11-24(26)25-12-8-10-14-27(25)28/h7-16,19-21,23,28H,17-18H2,1-6H3
InChIKeyCMCPEXRJQPWXBU-UHFFFAOYSA-N
XLogP7.45
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.62
LogP ≤ 57.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[2-(9H-fluoren-9-yl)propan-2-yl]cyclopenta-1,4-dien-1-yl]ethyl]-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-[2-[3-[2-(9H-fluoren-9-yl)propan-2-yl]cyclopenta-1,4-dien-1-yl]ethyl]-N-propan-2-ylpropan-2-amine (CID 101061136) is N-[2-[3-[2-(9H-fluoren-9-yl)propan-2-yl]cyclopenta-1,4-dien-1-yl]ethyl]-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-[2-[3-[2-(9H-fluoren-9-yl)propan-2-yl]cyclopenta-1,4-dien-1-yl]ethyl]-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-[2-[3-[2-(9H-fluoren-9-yl)propan-2-yl]cyclopenta-1,4-dien-1-yl]ethyl]-N-propan-2-ylpropan-2-amine is CC(C)N(CCC1=CC(C(C)(C)C2c3ccccc3-c3ccccc32)C=C1)C(C)C.
What is the InChIKey of N-[2-[3-[2-(9H-fluoren-9-yl)propan-2-yl]cyclopenta-1,4-dien-1-yl]ethyl]-N-propan-2-ylpropan-2-amine?
The InChIKey is CMCPEXRJQPWXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N/c1-20(2)30(21(3)4)18-17-22-15-16-23(19-22)29(5,6)28-26-13-9-7-11-24(26)25-12-8-10-14-27(25)28/h7-16,19-21,23,28H,17-18H2,1-6H3.
What are the key properties of N-[2-[3-[2-(9H-fluoren-9-yl)propan-2-yl]cyclopenta-1,4-dien-1-yl]ethyl]-N-propan-2-ylpropan-2-amine?
N-[2-[3-[2-(9H-fluoren-9-yl)propan-2-yl]cyclopenta-1,4-dien-1-yl]ethyl]-N-propan-2-ylpropan-2-amine has a molecular weight of 399.62 g/mol, XLogP of 7.45, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[2-(9H-fluoren-9-yl)propan-2-yl]cyclopenta-1,4-dien-1-yl]ethyl]-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 101061136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).