1-(4-bromophenyl)-N'-butyl-N'-cyclopropylpropane-1,3-diamine

C16H25BrN2 — CID 62619631

IUPAC1-(4-bromophenyl)-N'-butyl-N'-cyclopropylpropane-1,3-diamine
SMILESCCCCN(CCC(N)c1ccc(Br)cc1)C1CC1
InChIInChI=1S/C16H25BrN2/c1-2-3-11-19(15-8-9-15)12-10-16(18)13-4-6-14(17)7-5-13/h4-7,15-16H,2-3,8-12,18H2,1H3
InChIKeySDQNGJGGMDGOJY-UHFFFAOYSA-N
MW325.29 g/mol
LogP4.10
Rot. Bonds8

About 1-(4-bromophenyl)-N'-butyl-N'-cyclopropylpropane-1,3-diamine

1-(4-bromophenyl)-N'-butyl-N'-cyclopropylpropane-1,3-diamine (PubChem CID 62619631) has the molecular formula C16H25BrN2 and a molecular weight of 325.29 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N'-butyl-N'-cyclopropylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N'-butyl-N'-cyclopropylpropane-1,3-diamine
PubChem CID62619631
Molecular FormulaC16H25BrN2
Molecular Weight325.29 g/mol
Exact Mass324.12
IUPAC Name1-(4-bromophenyl)-N'-butyl-N'-cyclopropylpropane-1,3-diamine
SMILESCCCCN(CCC(N)c1ccc(Br)cc1)C1CC1
InChIInChI=1S/C16H25BrN2/c1-2-3-11-19(15-8-9-15)12-10-16(18)13-4-6-14(17)7-5-13/h4-7,15-16H,2-3,8-12,18H2,1H3
InChIKeySDQNGJGGMDGOJY-UHFFFAOYSA-N
XLogP4.10
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)-N'-cyclopropyl-N'-propylpropane-1,3-diamine
CID 62617872
1-(4-bromophenyl)-N'-cyclopropyl-N'-(3-methylbutyl)propane-1,3-diamine
CID 78991257
1-(4-bromophenyl)-N'-cyclopentyl-N'-ethylpropane-1,3-diamine
CID 62617204
1-(4-bromophenyl)-N'-methyl-N'-propylpropane-1,3-diamine
CID 62619765
(1R)-1-(4-bromophenyl)hexan-1-amine
CID 28979676
(1S)-1-(4-bromophenyl)hexan-1-amine
CID 28979678
N'-butyl-N'-cyclopropyl-1-(4-ethylphenyl)ethane-1,2-diamine
CID 61441578
N'-butyl-N'-cyclopropyl-1-(2-fluorophenyl)propane-1,3-diamine
CID 62645216
1-(4-bromophenyl)-1-N-butyl-1-N-cyclopropylbutane-1,2-diamine
CID 63406377
1-(4-bromo-2-chlorophenyl)-N'-cyclopropyl-N'-propylpropane-1,3-diamine
CID 82780047
1-(4-bromophenyl)-N'-(cyclopropylmethyl)-N'-ethylpropane-1,3-diamine
CID 63957100
1-(4-bromophenyl)-1-N-cyclopropyl-1-N-propylpropane-1,2-diamine
CID 55016024

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N'-butyl-N'-cyclopropylpropane-1,3-diamine?
The IUPAC name of 1-(4-bromophenyl)-N'-butyl-N'-cyclopropylpropane-1,3-diamine (CID 62619631) is 1-(4-bromophenyl)-N'-butyl-N'-cyclopropylpropane-1,3-diamine.
What is the SMILES notation for 1-(4-bromophenyl)-N'-butyl-N'-cyclopropylpropane-1,3-diamine?
The canonical SMILES for 1-(4-bromophenyl)-N'-butyl-N'-cyclopropylpropane-1,3-diamine is CCCCN(CCC(N)c1ccc(Br)cc1)C1CC1.
What is the InChIKey of 1-(4-bromophenyl)-N'-butyl-N'-cyclopropylpropane-1,3-diamine?
The InChIKey is SDQNGJGGMDGOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2/c1-2-3-11-19(15-8-9-15)12-10-16(18)13-4-6-14(17)7-5-13/h4-7,15-16H,2-3,8-12,18H2,1H3.
What are the key properties of 1-(4-bromophenyl)-N'-butyl-N'-cyclopropylpropane-1,3-diamine?
1-(4-bromophenyl)-N'-butyl-N'-cyclopropylpropane-1,3-diamine has a molecular weight of 325.29 g/mol, XLogP of 4.10, 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'-butyl-N'-cyclopropylpropane-1,3-diamine is sourced from PubChem (CID 62619631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).