N-cyclopropyl-1-[4-(methoxymethyl)phenyl]-N-(3-methylbutyl)ethane-1,2-diamine

C18H30N2O — CID 79013721

IUPACN-cyclopropyl-1-[4-(methoxymethyl)phenyl]-N-(3-methylbutyl)ethane-1,2-diamine
SMILESCOCc1ccc(C(CN)N(CCC(C)C)C2CC2)cc1
InChIInChI=1S/C18H30N2O/c1-14(2)10-11-20(17-8-9-17)18(12-19)16-6-4-15(5-7-16)13-21-3/h4-7,14,17-18H,8-13,19H2,1-3H3
InChIKeyNYSUMFZGUAXMTO-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.34
Rot. Bonds9

About N-cyclopropyl-1-[4-(methoxymethyl)phenyl]-N-(3-methylbutyl)ethane-1,2-diamine

N-cyclopropyl-1-[4-(methoxymethyl)phenyl]-N-(3-methylbutyl)ethane-1,2-diamine (PubChem CID 79013721) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-cyclopropyl-1-[4-(methoxymethyl)phenyl]-N-(3-methylbutyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-cyclopropyl-1-[4-(methoxymethyl)phenyl]-N-(3-methylbutyl)ethane-1,2-diamine
PubChem CID79013721
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-cyclopropyl-1-[4-(methoxymethyl)phenyl]-N-(3-methylbutyl)ethane-1,2-diamine
SMILESCOCc1ccc(C(CN)N(CCC(C)C)C2CC2)cc1
InChIInChI=1S/C18H30N2O/c1-14(2)10-11-20(17-8-9-17)18(12-19)16-6-4-15(5-7-16)13-21-3/h4-7,14,17-18H,8-13,19H2,1-3H3
InChIKeyNYSUMFZGUAXMTO-UHFFFAOYSA-N
XLogP3.34
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[4-(methoxymethyl)phenyl]-N-(3-methylbutyl)ethane-1,2-diamine?
The IUPAC name of N-cyclopropyl-1-[4-(methoxymethyl)phenyl]-N-(3-methylbutyl)ethane-1,2-diamine (CID 79013721) is N-cyclopropyl-1-[4-(methoxymethyl)phenyl]-N-(3-methylbutyl)ethane-1,2-diamine.
What is the SMILES notation for N-cyclopropyl-1-[4-(methoxymethyl)phenyl]-N-(3-methylbutyl)ethane-1,2-diamine?
The canonical SMILES for N-cyclopropyl-1-[4-(methoxymethyl)phenyl]-N-(3-methylbutyl)ethane-1,2-diamine is COCc1ccc(C(CN)N(CCC(C)C)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-1-[4-(methoxymethyl)phenyl]-N-(3-methylbutyl)ethane-1,2-diamine?
The InChIKey is NYSUMFZGUAXMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-14(2)10-11-20(17-8-9-17)18(12-19)16-6-4-15(5-7-16)13-21-3/h4-7,14,17-18H,8-13,19H2,1-3H3.
What are the key properties of N-cyclopropyl-1-[4-(methoxymethyl)phenyl]-N-(3-methylbutyl)ethane-1,2-diamine?
N-cyclopropyl-1-[4-(methoxymethyl)phenyl]-N-(3-methylbutyl)ethane-1,2-diamine has a molecular weight of 290.45 g/mol, XLogP of 3.34, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[4-(methoxymethyl)phenyl]-N-(3-methylbutyl)ethane-1,2-diamine is sourced from PubChem (CID 79013721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).