1-(4-bromophenyl)-1-N-butyl-1-N-cyclopropylbutane-1,2-diamine

C17H27BrN2 — CID 63406377

IUPAC1-(4-bromophenyl)-1-N-butyl-1-N-cyclopropylbutane-1,2-diamine
SMILESCCCCN(C1CC1)C(c1ccc(Br)cc1)C(N)CC
InChIInChI=1S/C17H27BrN2/c1-3-5-12-20(15-10-11-15)17(16(19)4-2)13-6-8-14(18)9-7-13/h6-9,15-17H,3-5,10-12,19H2,1-2H3
InChIKeyBSJNDBAONNHXKF-UHFFFAOYSA-N
MW339.32 g/mol
LogP4.49
Rot. Bonds8

About 1-(4-bromophenyl)-1-N-butyl-1-N-cyclopropylbutane-1,2-diamine

1-(4-bromophenyl)-1-N-butyl-1-N-cyclopropylbutane-1,2-diamine (PubChem CID 63406377) has the molecular formula C17H27BrN2 and a molecular weight of 339.32 g/mol. Its IUPAC name is 1-(4-bromophenyl)-1-N-butyl-1-N-cyclopropylbutane-1,2-diamine.

Molecular Properties

Compound Name1-(4-bromophenyl)-1-N-butyl-1-N-cyclopropylbutane-1,2-diamine
PubChem CID63406377
Molecular FormulaC17H27BrN2
Molecular Weight339.32 g/mol
Exact Mass338.14
IUPAC Name1-(4-bromophenyl)-1-N-butyl-1-N-cyclopropylbutane-1,2-diamine
SMILESCCCCN(C1CC1)C(c1ccc(Br)cc1)C(N)CC
InChIInChI=1S/C17H27BrN2/c1-3-5-12-20(15-10-11-15)17(16(19)4-2)13-6-8-14(18)9-7-13/h6-9,15-17H,3-5,10-12,19H2,1-2H3
InChIKeyBSJNDBAONNHXKF-UHFFFAOYSA-N
XLogP4.49
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 ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)-1-N-cyclopropyl-1-N-propylpropane-1,2-diamine
CID 55016024
1-(4-bromophenyl)-1-N-(cyclopropylmethyl)-1-N-propylbutane-1,2-diamine
CID 63406372
1-(4-bromophenyl)-N'-butyl-N'-cyclopropylpropane-1,3-diamine
CID 62619631
1-N-cyclopropyl-1-(3-methylphenyl)-1-N-propylbutane-1,2-diamine
CID 55020794
1-(4-bromophenyl)-1-N-butyl-1-N-ethylpropane-1,2-diamine
CID 55015637
3-[[2-amino-1-(5-bromothiophen-2-yl)butyl]-cyclobutylamino]propan-1-ol
CID 102860107
1-(4-bromophenyl)-N'-cyclopropyl-N'-propylpropane-1,3-diamine
CID 62617872
1-(4-chlorophenyl)-1-N-cyclopropyl-1-N-methylbutane-1,2-diamine
CID 55015474
1-(3-bromophenyl)-1-N-cyclopropyl-1-N-propylpropane-1,2-diamine
CID 55019625
1-N-butyl-1-(2-chlorophenyl)-1-N-cyclopropylpropane-1,2-diamine
CID 55022321
N-butyl-N-cyclopropyl-1-[4-(dimethylamino)phenyl]ethane-1,2-diamine
CID 61441069
3-[[2-amino-1-(4-bromophenyl)butyl]-ethylamino]propanenitrile
CID 55015549

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-1-N-butyl-1-N-cyclopropylbutane-1,2-diamine?
The IUPAC name of 1-(4-bromophenyl)-1-N-butyl-1-N-cyclopropylbutane-1,2-diamine (CID 63406377) is 1-(4-bromophenyl)-1-N-butyl-1-N-cyclopropylbutane-1,2-diamine.
What is the SMILES notation for 1-(4-bromophenyl)-1-N-butyl-1-N-cyclopropylbutane-1,2-diamine?
The canonical SMILES for 1-(4-bromophenyl)-1-N-butyl-1-N-cyclopropylbutane-1,2-diamine is CCCCN(C1CC1)C(c1ccc(Br)cc1)C(N)CC.
What is the InChIKey of 1-(4-bromophenyl)-1-N-butyl-1-N-cyclopropylbutane-1,2-diamine?
The InChIKey is BSJNDBAONNHXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BrN2/c1-3-5-12-20(15-10-11-15)17(16(19)4-2)13-6-8-14(18)9-7-13/h6-9,15-17H,3-5,10-12,19H2,1-2H3.
What are the key properties of 1-(4-bromophenyl)-1-N-butyl-1-N-cyclopropylbutane-1,2-diamine?
1-(4-bromophenyl)-1-N-butyl-1-N-cyclopropylbutane-1,2-diamine has a molecular weight of 339.32 g/mol, XLogP of 4.49, 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-butyl-1-N-cyclopropylbutane-1,2-diamine is sourced from PubChem (CID 63406377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).