N'-butyl-N'-cyclopropyl-1-(4-ethylphenyl)ethane-1,2-diamine

C17H28N2 — CID 61441578

IUPACN'-butyl-N'-cyclopropyl-1-(4-ethylphenyl)ethane-1,2-diamine
SMILESCCCCN(CC(N)c1ccc(CC)cc1)C1CC1
InChIInChI=1S/C17H28N2/c1-3-5-12-19(16-10-11-16)13-17(18)15-8-6-14(4-2)7-9-15/h6-9,16-17H,3-5,10-13,18H2,1-2H3
InChIKeyZCEDYVPTENBLSQ-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.51
Rot. Bonds8

About N'-butyl-N'-cyclopropyl-1-(4-ethylphenyl)ethane-1,2-diamine

N'-butyl-N'-cyclopropyl-1-(4-ethylphenyl)ethane-1,2-diamine (PubChem CID 61441578) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N'-butyl-N'-cyclopropyl-1-(4-ethylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-butyl-N'-cyclopropyl-1-(4-ethylphenyl)ethane-1,2-diamine
PubChem CID61441578
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN'-butyl-N'-cyclopropyl-1-(4-ethylphenyl)ethane-1,2-diamine
SMILESCCCCN(CC(N)c1ccc(CC)cc1)C1CC1
InChIInChI=1S/C17H28N2/c1-3-5-12-19(16-10-11-16)13-17(18)15-8-6-14(4-2)7-9-15/h6-9,16-17H,3-5,10-13,18H2,1-2H3
InChIKeyZCEDYVPTENBLSQ-UHFFFAOYSA-N
XLogP3.51
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-cyclopropyl-N'-propyl-1-(4-propylphenyl)ethane-1,2-diamine
CID 43270345
1-(4-ethylphenyl)-N'-methyl-N'-(4-methylcyclohexyl)ethane-1,2-diamine
CID 61437159
N'-cyclopropyl-N'-ethyl-1-(4-propylphenyl)ethane-1,2-diamine
CID 43264141
1-(4-bromophenyl)-N'-butyl-N'-cyclopropylpropane-1,3-diamine
CID 62619631
1-(4-ethylphenyl)-N',N'-dipropylethane-1,2-diamine
CID 43094884
N'-(cyclopropylmethyl)-1-(4-ethylphenyl)-N'-propylethane-1,2-diamine
CID 61440981
N'-cyclopentyl-N'-ethyl-1-(4-propylphenyl)ethane-1,2-diamine
CID 43541052
(2R)-1-N-butyl-1-N-cyclopropylpropane-1,2-diamine
CID 103934535
N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-N-butylcyclopropanamine
CID 105347297
N'-butyl-N'-cyclopropyl-2-phenylpropane-1,3-diamine
CID 61440470
2-[butyl(cyclopropyl)amino]-1-phenylethanol
CID 60751435
N'-butyl-N'-methyl-1-(4-propylphenyl)ethane-1,2-diamine
CID 43105672

Frequently Asked Questions

What is the IUPAC name of N'-butyl-N'-cyclopropyl-1-(4-ethylphenyl)ethane-1,2-diamine?
The IUPAC name of N'-butyl-N'-cyclopropyl-1-(4-ethylphenyl)ethane-1,2-diamine (CID 61441578) is N'-butyl-N'-cyclopropyl-1-(4-ethylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-butyl-N'-cyclopropyl-1-(4-ethylphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-butyl-N'-cyclopropyl-1-(4-ethylphenyl)ethane-1,2-diamine is CCCCN(CC(N)c1ccc(CC)cc1)C1CC1.
What is the InChIKey of N'-butyl-N'-cyclopropyl-1-(4-ethylphenyl)ethane-1,2-diamine?
The InChIKey is ZCEDYVPTENBLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-3-5-12-19(16-10-11-16)13-17(18)15-8-6-14(4-2)7-9-15/h6-9,16-17H,3-5,10-13,18H2,1-2H3.
What are the key properties of N'-butyl-N'-cyclopropyl-1-(4-ethylphenyl)ethane-1,2-diamine?
N'-butyl-N'-cyclopropyl-1-(4-ethylphenyl)ethane-1,2-diamine has a molecular weight of 260.43 g/mol, XLogP of 3.51, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butyl-N'-cyclopropyl-1-(4-ethylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 61441578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).