N-decyl-N-[1-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethyl]decan-1-amine

C31H59N — CID 22443858

IUPACN-decyl-N-[1-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethyl]decan-1-amine
SMILESCCCCCCCCCCN(CCCCCCCCCC)C(C)C1=C(C)C(C)=C(C)C1C
InChIInChI=1S/C31H59N/c1-8-10-12-14-16-18-20-22-24-32(25-23-21-19-17-15-13-11-9-2)30(7)31-28(5)26(3)27(4)29(31)6/h28,30H,8-25H2,1-7H3
InChIKeyFWOHTVVWDPLEHN-UHFFFAOYSA-N
MW445.82 g/mol
LogP10.26
Rot. Bonds20

About N-decyl-N-[1-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethyl]decan-1-amine

N-decyl-N-[1-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethyl]decan-1-amine (PubChem CID 22443858) has the molecular formula C31H59N and a molecular weight of 445.82 g/mol. Its IUPAC name is N-decyl-N-[1-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethyl]decan-1-amine.

Molecular Properties

Compound NameN-decyl-N-[1-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethyl]decan-1-amine
PubChem CID22443858
Molecular FormulaC31H59N
Molecular Weight445.82 g/mol
Exact Mass445.46
IUPAC NameN-decyl-N-[1-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethyl]decan-1-amine
SMILESCCCCCCCCCCN(CCCCCCCCCC)C(C)C1=C(C)C(C)=C(C)C1C
InChIInChI=1S/C31H59N/c1-8-10-12-14-16-18-20-22-24-32(25-23-21-19-17-15-13-11-9-2)30(7)31-28(5)26(3)27(4)29(31)6/h28,30H,8-25H2,1-7H3
InChIKeyFWOHTVVWDPLEHN-UHFFFAOYSA-N
XLogP10.26
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds20
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.82
LogP ≤ 510.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-decyl-N-[1-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethyl]decan-1-amine?
The IUPAC name of N-decyl-N-[1-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethyl]decan-1-amine (CID 22443858) is N-decyl-N-[1-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethyl]decan-1-amine.
What is the SMILES notation for N-decyl-N-[1-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethyl]decan-1-amine?
The canonical SMILES for N-decyl-N-[1-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethyl]decan-1-amine is CCCCCCCCCCN(CCCCCCCCCC)C(C)C1=C(C)C(C)=C(C)C1C.
What is the InChIKey of N-decyl-N-[1-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethyl]decan-1-amine?
The InChIKey is FWOHTVVWDPLEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H59N/c1-8-10-12-14-16-18-20-22-24-32(25-23-21-19-17-15-13-11-9-2)30(7)31-28(5)26(3)27(4)29(31)6/h28,30H,8-25H2,1-7H3.
What are the key properties of N-decyl-N-[1-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethyl]decan-1-amine?
N-decyl-N-[1-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethyl]decan-1-amine has a molecular weight of 445.82 g/mol, XLogP of 10.26, 20 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-decyl-N-[1-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethyl]decan-1-amine is sourced from PubChem (CID 22443858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).