1-(4-bromophenyl)-1-N-(cyclopropylmethyl)-1-N-propylbutane-1,2-diamine

C17H27BrN2 — CID 63406372

IUPAC1-(4-bromophenyl)-1-N-(cyclopropylmethyl)-1-N-propylbutane-1,2-diamine
SMILESCCCN(CC1CC1)C(c1ccc(Br)cc1)C(N)CC
InChIInChI=1S/C17H27BrN2/c1-3-11-20(12-13-5-6-13)17(16(19)4-2)14-7-9-15(18)10-8-14/h7-10,13,16-17H,3-6,11-12,19H2,1-2H3
InChIKeyKZQVAMRHANZZMC-UHFFFAOYSA-N
MW339.32 g/mol
LogP4.35
Rot. Bonds8

About 1-(4-bromophenyl)-1-N-(cyclopropylmethyl)-1-N-propylbutane-1,2-diamine

1-(4-bromophenyl)-1-N-(cyclopropylmethyl)-1-N-propylbutane-1,2-diamine (PubChem CID 63406372) has the molecular formula C17H27BrN2 and a molecular weight of 339.32 g/mol. Its IUPAC name is 1-(4-bromophenyl)-1-N-(cyclopropylmethyl)-1-N-propylbutane-1,2-diamine.

Molecular Properties

Compound Name1-(4-bromophenyl)-1-N-(cyclopropylmethyl)-1-N-propylbutane-1,2-diamine
PubChem CID63406372
Molecular FormulaC17H27BrN2
Molecular Weight339.32 g/mol
Exact Mass338.14
IUPAC Name1-(4-bromophenyl)-1-N-(cyclopropylmethyl)-1-N-propylbutane-1,2-diamine
SMILESCCCN(CC1CC1)C(c1ccc(Br)cc1)C(N)CC
InChIInChI=1S/C17H27BrN2/c1-3-11-20(12-13-5-6-13)17(16(19)4-2)14-7-9-15(18)10-8-14/h7-10,13,16-17H,3-6,11-12,19H2,1-2H3
InChIKeyKZQVAMRHANZZMC-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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Related Compounds

1-(4-bromophenyl)-1-N-butyl-1-N-cyclopropylbutane-1,2-diamine
CID 63406377
1-(4-bromophenyl)-1-N-ethyl-1-N-propylpropane-1,2-diamine
CID 55015975
1-(4-bromophenyl)-N'-(cyclopropylmethyl)-N'-ethylpropane-1,3-diamine
CID 63957100
3-[[2-amino-1-(4-bromophenyl)butyl]-ethylamino]propanenitrile
CID 55015549
1-(4-bromophenyl)-1-N-cyclopropyl-1-N-propylpropane-1,2-diamine
CID 55016024
1-(4-chlorophenyl)-1-N-(cyclopropylmethyl)-1-N-methylbutane-1,2-diamine
CID 55015238
1-(5-bromo-2-fluorophenyl)-N-(cyclopropylmethyl)-N-propylethane-1,2-diamine
CID 61440999
1-N-(cyclopropylmethyl)-1-N-ethyl-1-thiophen-2-ylbutane-1,2-diamine
CID 63955105
1-(2-chlorophenyl)-1-N-(cyclopropylmethyl)-1-N-ethylbutane-1,2-diamine
CID 63954907
N-(cyclopropylmethyl)-1-(4-propan-2-yloxyphenyl)-N-propylethane-1,2-diamine
CID 61440569
1-N-(cyclopropylmethyl)-1-N-propyl-1-thiophen-2-ylpropane-1,2-diamine
CID 55021714
1-(2-bromophenyl)-1-N,1-N-dipropylbutane-1,2-diamine
CID 63406143

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-1-N-(cyclopropylmethyl)-1-N-propylbutane-1,2-diamine?
The IUPAC name of 1-(4-bromophenyl)-1-N-(cyclopropylmethyl)-1-N-propylbutane-1,2-diamine (CID 63406372) is 1-(4-bromophenyl)-1-N-(cyclopropylmethyl)-1-N-propylbutane-1,2-diamine.
What is the SMILES notation for 1-(4-bromophenyl)-1-N-(cyclopropylmethyl)-1-N-propylbutane-1,2-diamine?
The canonical SMILES for 1-(4-bromophenyl)-1-N-(cyclopropylmethyl)-1-N-propylbutane-1,2-diamine is CCCN(CC1CC1)C(c1ccc(Br)cc1)C(N)CC.
What is the InChIKey of 1-(4-bromophenyl)-1-N-(cyclopropylmethyl)-1-N-propylbutane-1,2-diamine?
The InChIKey is KZQVAMRHANZZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BrN2/c1-3-11-20(12-13-5-6-13)17(16(19)4-2)14-7-9-15(18)10-8-14/h7-10,13,16-17H,3-6,11-12,19H2,1-2H3.
What are the key properties of 1-(4-bromophenyl)-1-N-(cyclopropylmethyl)-1-N-propylbutane-1,2-diamine?
1-(4-bromophenyl)-1-N-(cyclopropylmethyl)-1-N-propylbutane-1,2-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)-1-N-(cyclopropylmethyl)-1-N-propylbutane-1,2-diamine is sourced from PubChem (CID 63406372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).