N-ethyl-4-(4-methylcyclohepta-1,3,5-trien-1-yl)-N-pentan-3-ylpentan-1-amine

C20H35N — CID 144606409

IUPACN-ethyl-4-(4-methylcyclohepta-1,3,5-trien-1-yl)-N-pentan-3-ylpentan-1-amine
SMILESCCC(CC)N(CC)CCCC(C)C1=CC=C(C)C=CC1
InChIInChI=1S/C20H35N/c1-6-20(7-2)21(8-3)16-10-12-18(5)19-13-9-11-17(4)14-15-19/h9,11,14-15,18,20H,6-8,10,12-13,16H2,1-5H3
InChIKeyDPHUEQZICYEUFD-UHFFFAOYSA-N
MW289.51 g/mol
LogP5.75
Rot. Bonds9

About N-ethyl-4-(4-methylcyclohepta-1,3,5-trien-1-yl)-N-pentan-3-ylpentan-1-amine

N-ethyl-4-(4-methylcyclohepta-1,3,5-trien-1-yl)-N-pentan-3-ylpentan-1-amine (PubChem CID 144606409) has the molecular formula C20H35N and a molecular weight of 289.51 g/mol. Its IUPAC name is N-ethyl-4-(4-methylcyclohepta-1,3,5-trien-1-yl)-N-pentan-3-ylpentan-1-amine.

Molecular Properties

Compound NameN-ethyl-4-(4-methylcyclohepta-1,3,5-trien-1-yl)-N-pentan-3-ylpentan-1-amine
PubChem CID144606409
Molecular FormulaC20H35N
Molecular Weight289.51 g/mol
Exact Mass289.28
IUPAC NameN-ethyl-4-(4-methylcyclohepta-1,3,5-trien-1-yl)-N-pentan-3-ylpentan-1-amine
SMILESCCC(CC)N(CC)CCCC(C)C1=CC=C(C)C=CC1
InChIInChI=1S/C20H35N/c1-6-20(7-2)21(8-3)16-10-12-18(5)19-13-9-11-17(4)14-15-19/h9,11,14-15,18,20H,6-8,10,12-13,16H2,1-5H3
InChIKeyDPHUEQZICYEUFD-UHFFFAOYSA-N
XLogP5.75
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.51
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(4-methylcyclohepta-1,3,5-trien-1-yl)-N-pentan-3-ylpentan-1-amine?
The IUPAC name of N-ethyl-4-(4-methylcyclohepta-1,3,5-trien-1-yl)-N-pentan-3-ylpentan-1-amine (CID 144606409) is N-ethyl-4-(4-methylcyclohepta-1,3,5-trien-1-yl)-N-pentan-3-ylpentan-1-amine.
What is the SMILES notation for N-ethyl-4-(4-methylcyclohepta-1,3,5-trien-1-yl)-N-pentan-3-ylpentan-1-amine?
The canonical SMILES for N-ethyl-4-(4-methylcyclohepta-1,3,5-trien-1-yl)-N-pentan-3-ylpentan-1-amine is CCC(CC)N(CC)CCCC(C)C1=CC=C(C)C=CC1.
What is the InChIKey of N-ethyl-4-(4-methylcyclohepta-1,3,5-trien-1-yl)-N-pentan-3-ylpentan-1-amine?
The InChIKey is DPHUEQZICYEUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N/c1-6-20(7-2)21(8-3)16-10-12-18(5)19-13-9-11-17(4)14-15-19/h9,11,14-15,18,20H,6-8,10,12-13,16H2,1-5H3.
What are the key properties of N-ethyl-4-(4-methylcyclohepta-1,3,5-trien-1-yl)-N-pentan-3-ylpentan-1-amine?
N-ethyl-4-(4-methylcyclohepta-1,3,5-trien-1-yl)-N-pentan-3-ylpentan-1-amine has a molecular weight of 289.51 g/mol, XLogP of 5.75, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(4-methylcyclohepta-1,3,5-trien-1-yl)-N-pentan-3-ylpentan-1-amine is sourced from PubChem (CID 144606409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).