1-(4-bromophenyl)-N'-cyclopropyl-N'-(3-methylbutyl)propane-1,3-diamine

C17H27BrN2 — CID 78991257

IUPAC1-(4-bromophenyl)-N'-cyclopropyl-N'-(3-methylbutyl)propane-1,3-diamine
SMILESCC(C)CCN(CCC(N)c1ccc(Br)cc1)C1CC1
InChIInChI=1S/C17H27BrN2/c1-13(2)9-11-20(16-7-8-16)12-10-17(19)14-3-5-15(18)6-4-14/h3-6,13,16-17H,7-12,19H2,1-2H3
InChIKeyHTAMPKNGYVGYOU-UHFFFAOYSA-N
MW339.32 g/mol
LogP4.35
Rot. Bonds8

About 1-(4-bromophenyl)-N'-cyclopropyl-N'-(3-methylbutyl)propane-1,3-diamine

1-(4-bromophenyl)-N'-cyclopropyl-N'-(3-methylbutyl)propane-1,3-diamine (PubChem CID 78991257) has the molecular formula C17H27BrN2 and a molecular weight of 339.32 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N'-cyclopropyl-N'-(3-methylbutyl)propane-1,3-diamine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N'-cyclopropyl-N'-(3-methylbutyl)propane-1,3-diamine
PubChem CID78991257
Molecular FormulaC17H27BrN2
Molecular Weight339.32 g/mol
Exact Mass338.14
IUPAC Name1-(4-bromophenyl)-N'-cyclopropyl-N'-(3-methylbutyl)propane-1,3-diamine
SMILESCC(C)CCN(CCC(N)c1ccc(Br)cc1)C1CC1
InChIInChI=1S/C17H27BrN2/c1-13(2)9-11-20(16-7-8-16)12-10-17(19)14-3-5-15(18)6-4-14/h3-6,13,16-17H,7-12,19H2,1-2H3
InChIKeyHTAMPKNGYVGYOU-UHFFFAOYSA-N
XLogP4.35
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N'-cyclopropyl-N'-(3-methylbutyl)propane-1,3-diamine?
The IUPAC name of 1-(4-bromophenyl)-N'-cyclopropyl-N'-(3-methylbutyl)propane-1,3-diamine (CID 78991257) is 1-(4-bromophenyl)-N'-cyclopropyl-N'-(3-methylbutyl)propane-1,3-diamine.
What is the SMILES notation for 1-(4-bromophenyl)-N'-cyclopropyl-N'-(3-methylbutyl)propane-1,3-diamine?
The canonical SMILES for 1-(4-bromophenyl)-N'-cyclopropyl-N'-(3-methylbutyl)propane-1,3-diamine is CC(C)CCN(CCC(N)c1ccc(Br)cc1)C1CC1.
What is the InChIKey of 1-(4-bromophenyl)-N'-cyclopropyl-N'-(3-methylbutyl)propane-1,3-diamine?
The InChIKey is HTAMPKNGYVGYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BrN2/c1-13(2)9-11-20(16-7-8-16)12-10-17(19)14-3-5-15(18)6-4-14/h3-6,13,16-17H,7-12,19H2,1-2H3.
What are the key properties of 1-(4-bromophenyl)-N'-cyclopropyl-N'-(3-methylbutyl)propane-1,3-diamine?
1-(4-bromophenyl)-N'-cyclopropyl-N'-(3-methylbutyl)propane-1,3-diamine has a molecular weight of 339.32 g/mol, XLogP of 4.35, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N'-cyclopropyl-N'-(3-methylbutyl)propane-1,3-diamine is sourced from PubChem (CID 78991257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).