N'-(cyclopropylmethyl)-N'-ethyl-1-phenyl-N-propylethane-1,2-diamine

C17H28N2 — CID 63955974

IUPACN'-(cyclopropylmethyl)-N'-ethyl-1-phenyl-N-propylethane-1,2-diamine
SMILESCCCNC(CN(CC)CC1CC1)c1ccccc1
InChIInChI=1S/C17H28N2/c1-3-12-18-17(16-8-6-5-7-9-16)14-19(4-2)13-15-10-11-15/h5-9,15,17-18H,3-4,10-14H2,1-2H3
InChIKeyNUZGBJNBEVKVIN-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.46
Rot. Bonds9

About N'-(cyclopropylmethyl)-N'-ethyl-1-phenyl-N-propylethane-1,2-diamine

N'-(cyclopropylmethyl)-N'-ethyl-1-phenyl-N-propylethane-1,2-diamine (PubChem CID 63955974) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N'-(cyclopropylmethyl)-N'-ethyl-1-phenyl-N-propylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(cyclopropylmethyl)-N'-ethyl-1-phenyl-N-propylethane-1,2-diamine
PubChem CID63955974
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN'-(cyclopropylmethyl)-N'-ethyl-1-phenyl-N-propylethane-1,2-diamine
SMILESCCCNC(CN(CC)CC1CC1)c1ccccc1
InChIInChI=1S/C17H28N2/c1-3-12-18-17(16-8-6-5-7-9-16)14-19(4-2)13-15-10-11-15/h5-9,15,17-18H,3-4,10-14H2,1-2H3
InChIKeyNUZGBJNBEVKVIN-UHFFFAOYSA-N
XLogP3.46
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(cyclopentylmethyl)-N'-methyl-1-phenyl-N-propylethane-1,2-diamine
CID 63631236
N'-(cyclobutylmethyl)-N'-ethyl-1-(2-methylphenyl)-N-propylethane-1,2-diamine
CID 107398055
N'-cyclohexyl-N'-ethyl-1-phenyl-N-propylethane-1,2-diamine
CID 63466722
N',N'-dimethyl-1-phenyl-N-propylethane-1,2-diamine
CID 43203951
N'-(cyclopropylmethyl)-1-(3,4-dimethylphenyl)-N,N'-diethylethane-1,2-diamine
CID 63955360
N,N',N'-triethyl-1-phenylethane-1,2-diamine
CID 60695169
N'-(2-methylpropyl)-1-phenyl-N'-propan-2-yl-N-propylethane-1,2-diamine
CID 63469072
N-(2-cycloheptyl-1-phenylethyl)propan-1-amine
CID 114457602
3-cycloheptyl-1-phenyl-N-propylpropan-1-amine
CID 82924096
N'-(cyclobutylmethyl)-N',2-dimethyl-1-phenyl-N-propylpropane-1,3-diamine
CID 62860142
N'-(cyclopropylmethyl)-N'-ethyl-N-methyl-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 63955363
N',N'-diethyl-1-[4-(2-methylpropyl)phenyl]-N-propylethane-1,2-diamine
CID 63466904

Frequently Asked Questions

What is the IUPAC name of N'-(cyclopropylmethyl)-N'-ethyl-1-phenyl-N-propylethane-1,2-diamine?
The IUPAC name of N'-(cyclopropylmethyl)-N'-ethyl-1-phenyl-N-propylethane-1,2-diamine (CID 63955974) is N'-(cyclopropylmethyl)-N'-ethyl-1-phenyl-N-propylethane-1,2-diamine.
What is the SMILES notation for N'-(cyclopropylmethyl)-N'-ethyl-1-phenyl-N-propylethane-1,2-diamine?
The canonical SMILES for N'-(cyclopropylmethyl)-N'-ethyl-1-phenyl-N-propylethane-1,2-diamine is CCCNC(CN(CC)CC1CC1)c1ccccc1.
What is the InChIKey of N'-(cyclopropylmethyl)-N'-ethyl-1-phenyl-N-propylethane-1,2-diamine?
The InChIKey is NUZGBJNBEVKVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-3-12-18-17(16-8-6-5-7-9-16)14-19(4-2)13-15-10-11-15/h5-9,15,17-18H,3-4,10-14H2,1-2H3.
What are the key properties of N'-(cyclopropylmethyl)-N'-ethyl-1-phenyl-N-propylethane-1,2-diamine?
N'-(cyclopropylmethyl)-N'-ethyl-1-phenyl-N-propylethane-1,2-diamine has a molecular weight of 260.43 g/mol, XLogP of 3.46, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclopropylmethyl)-N'-ethyl-1-phenyl-N-propylethane-1,2-diamine is sourced from PubChem (CID 63955974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).