N'-(cyclobutylmethyl)-N'-ethyl-2-methyl-1-phenylpropane-1,3-diamine

C17H28N2 — CID 107399437

IUPACN'-(cyclobutylmethyl)-N'-ethyl-2-methyl-1-phenylpropane-1,3-diamine
SMILESCCN(CC1CCC1)CC(C)C(N)c1ccccc1
InChIInChI=1S/C17H28N2/c1-3-19(13-15-8-7-9-15)12-14(2)17(18)16-10-5-4-6-11-16/h4-6,10-11,14-15,17H,3,7-9,12-13,18H2,1-2H3
InChIKeyNLKDDCRQXFDXPP-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.44
Rot. Bonds7

About N'-(cyclobutylmethyl)-N'-ethyl-2-methyl-1-phenylpropane-1,3-diamine

N'-(cyclobutylmethyl)-N'-ethyl-2-methyl-1-phenylpropane-1,3-diamine (PubChem CID 107399437) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N'-(cyclobutylmethyl)-N'-ethyl-2-methyl-1-phenylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(cyclobutylmethyl)-N'-ethyl-2-methyl-1-phenylpropane-1,3-diamine
PubChem CID107399437
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN'-(cyclobutylmethyl)-N'-ethyl-2-methyl-1-phenylpropane-1,3-diamine
SMILESCCN(CC1CCC1)CC(C)C(N)c1ccccc1
InChIInChI=1S/C17H28N2/c1-3-19(13-15-8-7-9-15)12-14(2)17(18)16-10-5-4-6-11-16/h4-6,10-11,14-15,17H,3,7-9,12-13,18H2,1-2H3
InChIKeyNLKDDCRQXFDXPP-UHFFFAOYSA-N
XLogP3.44
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-ethyl-2-methyl-N'-(2-methylpropyl)-1-phenylpropane-1,3-diamine
CID 62618547
N'-cyclopentyl-N',2-dimethyl-1-phenylpropane-1,3-diamine
CID 62618384
N'-cyclopropyl-N'-(cyclopropylmethyl)-2-methyl-1-phenylpropane-1,3-diamine
CID 64521866
3-amino-N-(cyclobutylmethyl)-N-ethyl-2-methyl-3-phenylpropanamide
CID 107398357
2-[(3-amino-2-methyl-3-phenylpropyl)-(2-hydroxyethyl)amino]ethanol
CID 62619271
2-N-(cyclopropylmethyl)-2-N-ethyl-3-methyl-1-phenylbutane-1,2-diamine
CID 63954327
N',N',2-trimethyl-1-phenylpropane-1,3-diamine
CID 62618546
N'-butan-2-yl-N'-ethyl-2-methyl-1-phenylpropane-1,3-diamine
CID 62617195
2-methyl-1-phenyl-N',N'-bis(prop-2-enyl)propane-1,3-diamine
CID 62619076
1-[cyclobutylmethyl(ethyl)amino]propan-2-ol
CID 103714006
N'-(cyclopropylmethyl)-N'-ethyl-1-phenyl-N-propylethane-1,2-diamine
CID 63955974
2-amino-N-(cyclobutylmethyl)-N-ethyl-2-phenylacetamide
CID 107398345

Frequently Asked Questions

What is the IUPAC name of N'-(cyclobutylmethyl)-N'-ethyl-2-methyl-1-phenylpropane-1,3-diamine?
The IUPAC name of N'-(cyclobutylmethyl)-N'-ethyl-2-methyl-1-phenylpropane-1,3-diamine (CID 107399437) is N'-(cyclobutylmethyl)-N'-ethyl-2-methyl-1-phenylpropane-1,3-diamine.
What is the SMILES notation for N'-(cyclobutylmethyl)-N'-ethyl-2-methyl-1-phenylpropane-1,3-diamine?
The canonical SMILES for N'-(cyclobutylmethyl)-N'-ethyl-2-methyl-1-phenylpropane-1,3-diamine is CCN(CC1CCC1)CC(C)C(N)c1ccccc1.
What is the InChIKey of N'-(cyclobutylmethyl)-N'-ethyl-2-methyl-1-phenylpropane-1,3-diamine?
The InChIKey is NLKDDCRQXFDXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-3-19(13-15-8-7-9-15)12-14(2)17(18)16-10-5-4-6-11-16/h4-6,10-11,14-15,17H,3,7-9,12-13,18H2,1-2H3.
What are the key properties of N'-(cyclobutylmethyl)-N'-ethyl-2-methyl-1-phenylpropane-1,3-diamine?
N'-(cyclobutylmethyl)-N'-ethyl-2-methyl-1-phenylpropane-1,3-diamine has a molecular weight of 260.43 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclobutylmethyl)-N'-ethyl-2-methyl-1-phenylpropane-1,3-diamine is sourced from PubChem (CID 107399437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).