1-N-cycloheptyl-3-N-(4-fluorophenyl)-3-N-prop-1-en-2-ylpentane-1,3-diamine

C21H33FN2 — CID 143303324

IUPAC1-N-cycloheptyl-3-N-(4-fluorophenyl)-3-N-prop-1-en-2-ylpentane-1,3-diamine
SMILESC=C(C)N(c1ccc(F)cc1)C(CC)CCNC1CCCCCC1
InChIInChI=1S/C21H33FN2/c1-4-20(15-16-23-19-9-7-5-6-8-10-19)24(17(2)3)21-13-11-18(22)12-14-21/h11-14,19-20,23H,2,4-10,15-16H2,1,3H3
InChIKeyFUNMQNTTZBGXSB-UHFFFAOYSA-N
MW332.51 g/mol
LogP5.65
Rot. Bonds8

About 1-N-cycloheptyl-3-N-(4-fluorophenyl)-3-N-prop-1-en-2-ylpentane-1,3-diamine

1-N-cycloheptyl-3-N-(4-fluorophenyl)-3-N-prop-1-en-2-ylpentane-1,3-diamine (PubChem CID 143303324) has the molecular formula C21H33FN2 and a molecular weight of 332.51 g/mol. Its IUPAC name is 1-N-cycloheptyl-3-N-(4-fluorophenyl)-3-N-prop-1-en-2-ylpentane-1,3-diamine.

Molecular Properties

Compound Name1-N-cycloheptyl-3-N-(4-fluorophenyl)-3-N-prop-1-en-2-ylpentane-1,3-diamine
PubChem CID143303324
Molecular FormulaC21H33FN2
Molecular Weight332.51 g/mol
Exact Mass332.26
IUPAC Name1-N-cycloheptyl-3-N-(4-fluorophenyl)-3-N-prop-1-en-2-ylpentane-1,3-diamine
SMILESC=C(C)N(c1ccc(F)cc1)C(CC)CCNC1CCCCCC1
InChIInChI=1S/C21H33FN2/c1-4-20(15-16-23-19-9-7-5-6-8-10-19)24(17(2)3)21-13-11-18(22)12-14-21/h11-14,19-20,23H,2,4-10,15-16H2,1,3H3
InChIKeyFUNMQNTTZBGXSB-UHFFFAOYSA-N
XLogP5.65
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.51
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N-cycloheptyl-3-N-(4-fluorophenyl)-3-N-prop-1-en-2-ylpentane-1,3-diamine?
The IUPAC name of 1-N-cycloheptyl-3-N-(4-fluorophenyl)-3-N-prop-1-en-2-ylpentane-1,3-diamine (CID 143303324) is 1-N-cycloheptyl-3-N-(4-fluorophenyl)-3-N-prop-1-en-2-ylpentane-1,3-diamine.
What is the SMILES notation for 1-N-cycloheptyl-3-N-(4-fluorophenyl)-3-N-prop-1-en-2-ylpentane-1,3-diamine?
The canonical SMILES for 1-N-cycloheptyl-3-N-(4-fluorophenyl)-3-N-prop-1-en-2-ylpentane-1,3-diamine is C=C(C)N(c1ccc(F)cc1)C(CC)CCNC1CCCCCC1.
What is the InChIKey of 1-N-cycloheptyl-3-N-(4-fluorophenyl)-3-N-prop-1-en-2-ylpentane-1,3-diamine?
The InChIKey is FUNMQNTTZBGXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33FN2/c1-4-20(15-16-23-19-9-7-5-6-8-10-19)24(17(2)3)21-13-11-18(22)12-14-21/h11-14,19-20,23H,2,4-10,15-16H2,1,3H3.
What are the key properties of 1-N-cycloheptyl-3-N-(4-fluorophenyl)-3-N-prop-1-en-2-ylpentane-1,3-diamine?
1-N-cycloheptyl-3-N-(4-fluorophenyl)-3-N-prop-1-en-2-ylpentane-1,3-diamine has a molecular weight of 332.51 g/mol, XLogP of 5.65, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cycloheptyl-3-N-(4-fluorophenyl)-3-N-prop-1-en-2-ylpentane-1,3-diamine is sourced from PubChem (CID 143303324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).