N'-cyclobutyl-N'-[2-(4-methoxyphenyl)ethyl]propane-1,3-diamine

C16H26N2O — CID 102874850

IUPACN'-cyclobutyl-N'-[2-(4-methoxyphenyl)ethyl]propane-1,3-diamine
SMILESCOc1ccc(CCN(CCCN)C2CCC2)cc1
InChIInChI=1S/C16H26N2O/c1-19-16-8-6-14(7-9-16)10-13-18(12-3-11-17)15-4-2-5-15/h6-9,15H,2-5,10-13,17H2,1H3
InChIKeyCLTYTBVSQTXZIK-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.44
Rot. Bonds8

About N'-cyclobutyl-N'-[2-(4-methoxyphenyl)ethyl]propane-1,3-diamine

N'-cyclobutyl-N'-[2-(4-methoxyphenyl)ethyl]propane-1,3-diamine (PubChem CID 102874850) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N'-cyclobutyl-N'-[2-(4-methoxyphenyl)ethyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclobutyl-N'-[2-(4-methoxyphenyl)ethyl]propane-1,3-diamine
PubChem CID102874850
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN'-cyclobutyl-N'-[2-(4-methoxyphenyl)ethyl]propane-1,3-diamine
SMILESCOc1ccc(CCN(CCCN)C2CCC2)cc1
InChIInChI=1S/C16H26N2O/c1-19-16-8-6-14(7-9-16)10-13-18(12-3-11-17)15-4-2-5-15/h6-9,15H,2-5,10-13,17H2,1H3
InChIKeyCLTYTBVSQTXZIK-UHFFFAOYSA-N
XLogP2.44
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[cyclobutyl-[2-(4-methoxyphenyl)ethyl]amino]propan-1-ol
CID 102848724
N-(2-bromoethyl)-N-[2-(4-methoxyphenyl)ethyl]cyclopropanamine
CID 80668431
2-[cyclopentyl-[2-(4-methoxyphenyl)ethyl]amino]ethanethioamide
CID 65446178
4-N-ethyl-4-N-[2-(4-methoxyphenyl)ethyl]cyclohexane-1,4-diamine
CID 79115451
N'-cyclohexyl-N'-[(3-methoxyphenyl)methyl]propane-1,3-diamine
CID 43137618
N'-[2-(4-methoxyphenyl)ethyl]-N'-propylpropane-1,3-diamine
CID 65430284
3-(4-methoxyphenyl)propan-1-amine;hydrochloride
CID 3029814
4-(4-methoxyphenyl)butan-1-amine;hydrochloride
CID 22715047
10-(4-methoxyphenyl)decan-1-amine
CID 70566558
5-(4-methoxyphenyl)pentan-1-amine
CID 11507342
2-[cyclopentyl-[(4-methoxyphenyl)methyl]amino]ethanol
CID 62015643
N-[2-(4-methoxyphenyl)ethyl]-N-methylpiperidin-3-amine
CID 63642664

Frequently Asked Questions

What is the IUPAC name of N'-cyclobutyl-N'-[2-(4-methoxyphenyl)ethyl]propane-1,3-diamine?
The IUPAC name of N'-cyclobutyl-N'-[2-(4-methoxyphenyl)ethyl]propane-1,3-diamine (CID 102874850) is N'-cyclobutyl-N'-[2-(4-methoxyphenyl)ethyl]propane-1,3-diamine.
What is the SMILES notation for N'-cyclobutyl-N'-[2-(4-methoxyphenyl)ethyl]propane-1,3-diamine?
The canonical SMILES for N'-cyclobutyl-N'-[2-(4-methoxyphenyl)ethyl]propane-1,3-diamine is COc1ccc(CCN(CCCN)C2CCC2)cc1.
What is the InChIKey of N'-cyclobutyl-N'-[2-(4-methoxyphenyl)ethyl]propane-1,3-diamine?
The InChIKey is CLTYTBVSQTXZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-19-16-8-6-14(7-9-16)10-13-18(12-3-11-17)15-4-2-5-15/h6-9,15H,2-5,10-13,17H2,1H3.
What are the key properties of N'-cyclobutyl-N'-[2-(4-methoxyphenyl)ethyl]propane-1,3-diamine?
N'-cyclobutyl-N'-[2-(4-methoxyphenyl)ethyl]propane-1,3-diamine has a molecular weight of 262.40 g/mol, XLogP of 2.44, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclobutyl-N'-[2-(4-methoxyphenyl)ethyl]propane-1,3-diamine is sourced from PubChem (CID 102874850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).