N-(1-cyclopropylethyl)-N'-methyl-N'-(4-methylpentan-2-yl)ethane-1,2-diamine

C14H30N2 — CID 62557377

IUPACN-(1-cyclopropylethyl)-N'-methyl-N'-(4-methylpentan-2-yl)ethane-1,2-diamine
SMILESCC(C)CC(C)N(C)CCNC(C)C1CC1
InChIInChI=1S/C14H30N2/c1-11(2)10-12(3)16(5)9-8-15-13(4)14-6-7-14/h11-15H,6-10H2,1-5H3
InChIKeyZTZJUIUIDPBIRN-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.74
Rot. Bonds8

About N-(1-cyclopropylethyl)-N'-methyl-N'-(4-methylpentan-2-yl)ethane-1,2-diamine

N-(1-cyclopropylethyl)-N'-methyl-N'-(4-methylpentan-2-yl)ethane-1,2-diamine (PubChem CID 62557377) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-N'-methyl-N'-(4-methylpentan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-N'-methyl-N'-(4-methylpentan-2-yl)ethane-1,2-diamine
PubChem CID62557377
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN-(1-cyclopropylethyl)-N'-methyl-N'-(4-methylpentan-2-yl)ethane-1,2-diamine
SMILESCC(C)CC(C)N(C)CCNC(C)C1CC1
InChIInChI=1S/C14H30N2/c1-11(2)10-12(3)16(5)9-8-15-13(4)14-6-7-14/h11-15H,6-10H2,1-5H3
InChIKeyZTZJUIUIDPBIRN-UHFFFAOYSA-N
XLogP2.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-N'-methyl-N'-(4-methylpentan-2-yl)ethane-1,2-diamine?
The IUPAC name of N-(1-cyclopropylethyl)-N'-methyl-N'-(4-methylpentan-2-yl)ethane-1,2-diamine (CID 62557377) is N-(1-cyclopropylethyl)-N'-methyl-N'-(4-methylpentan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(1-cyclopropylethyl)-N'-methyl-N'-(4-methylpentan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-(1-cyclopropylethyl)-N'-methyl-N'-(4-methylpentan-2-yl)ethane-1,2-diamine is CC(C)CC(C)N(C)CCNC(C)C1CC1.
What is the InChIKey of N-(1-cyclopropylethyl)-N'-methyl-N'-(4-methylpentan-2-yl)ethane-1,2-diamine?
The InChIKey is ZTZJUIUIDPBIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-11(2)10-12(3)16(5)9-8-15-13(4)14-6-7-14/h11-15H,6-10H2,1-5H3.
What are the key properties of N-(1-cyclopropylethyl)-N'-methyl-N'-(4-methylpentan-2-yl)ethane-1,2-diamine?
N-(1-cyclopropylethyl)-N'-methyl-N'-(4-methylpentan-2-yl)ethane-1,2-diamine has a molecular weight of 226.41 g/mol, XLogP of 2.74, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-N'-methyl-N'-(4-methylpentan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 62557377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).