N-ethyl-N'-methyl-N'-[(2-methylcyclopropyl)methyl]propane-1,3-diamine

C11H24N2 — CID 63865857

IUPACN-ethyl-N'-methyl-N'-[(2-methylcyclopropyl)methyl]propane-1,3-diamine
SMILESCCNCCCN(C)CC1CC1C
InChIInChI=1S/C11H24N2/c1-4-12-6-5-7-13(3)9-11-8-10(11)2/h10-12H,4-9H2,1-3H3
InChIKeyJZHYVUUVPUWFDO-UHFFFAOYSA-N
MW184.33 g/mol
LogP1.57
Rot. Bonds7

About N-ethyl-N'-methyl-N'-[(2-methylcyclopropyl)methyl]propane-1,3-diamine

N-ethyl-N'-methyl-N'-[(2-methylcyclopropyl)methyl]propane-1,3-diamine (PubChem CID 63865857) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is N-ethyl-N'-methyl-N'-[(2-methylcyclopropyl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN-ethyl-N'-methyl-N'-[(2-methylcyclopropyl)methyl]propane-1,3-diamine
PubChem CID63865857
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC NameN-ethyl-N'-methyl-N'-[(2-methylcyclopropyl)methyl]propane-1,3-diamine
SMILESCCNCCCN(C)CC1CC1C
InChIInChI=1S/C11H24N2/c1-4-12-6-5-7-13(3)9-11-8-10(11)2/h10-12H,4-9H2,1-3H3
InChIKeyJZHYVUUVPUWFDO-UHFFFAOYSA-N
XLogP1.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-methyl-N'-[(2-methylcyclopropyl)methyl]propane-1,3-diamine?
The IUPAC name of N-ethyl-N'-methyl-N'-[(2-methylcyclopropyl)methyl]propane-1,3-diamine (CID 63865857) is N-ethyl-N'-methyl-N'-[(2-methylcyclopropyl)methyl]propane-1,3-diamine.
What is the SMILES notation for N-ethyl-N'-methyl-N'-[(2-methylcyclopropyl)methyl]propane-1,3-diamine?
The canonical SMILES for N-ethyl-N'-methyl-N'-[(2-methylcyclopropyl)methyl]propane-1,3-diamine is CCNCCCN(C)CC1CC1C.
What is the InChIKey of N-ethyl-N'-methyl-N'-[(2-methylcyclopropyl)methyl]propane-1,3-diamine?
The InChIKey is JZHYVUUVPUWFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2/c1-4-12-6-5-7-13(3)9-11-8-10(11)2/h10-12H,4-9H2,1-3H3.
What are the key properties of N-ethyl-N'-methyl-N'-[(2-methylcyclopropyl)methyl]propane-1,3-diamine?
N-ethyl-N'-methyl-N'-[(2-methylcyclopropyl)methyl]propane-1,3-diamine has a molecular weight of 184.33 g/mol, XLogP of 1.57, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-methyl-N'-[(2-methylcyclopropyl)methyl]propane-1,3-diamine is sourced from PubChem (CID 63865857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).