N'-[(1-ethylcyclopropyl)methyl]-2-methyl-1-phenylpropane-1,3-diamine

C16H26N2 — CID 114100617

IUPACN'-[(1-ethylcyclopropyl)methyl]-2-methyl-1-phenylpropane-1,3-diamine
SMILESCCC1(CNCC(C)C(N)c2ccccc2)CC1
InChIInChI=1S/C16H26N2/c1-3-16(9-10-16)12-18-11-13(2)15(17)14-7-5-4-6-8-14/h4-8,13,15,18H,3,9-12,17H2,1-2H3
InChIKeyHPDPXRZXZZTECY-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.10
Rot. Bonds7

About N'-[(1-ethylcyclopropyl)methyl]-2-methyl-1-phenylpropane-1,3-diamine

N'-[(1-ethylcyclopropyl)methyl]-2-methyl-1-phenylpropane-1,3-diamine (PubChem CID 114100617) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N'-[(1-ethylcyclopropyl)methyl]-2-methyl-1-phenylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[(1-ethylcyclopropyl)methyl]-2-methyl-1-phenylpropane-1,3-diamine
PubChem CID114100617
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN'-[(1-ethylcyclopropyl)methyl]-2-methyl-1-phenylpropane-1,3-diamine
SMILESCCC1(CNCC(C)C(N)c2ccccc2)CC1
InChIInChI=1S/C16H26N2/c1-3-16(9-10-16)12-18-11-13(2)15(17)14-7-5-4-6-8-14/h4-8,13,15,18H,3,9-12,17H2,1-2H3
InChIKeyHPDPXRZXZZTECY-UHFFFAOYSA-N
XLogP3.10
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N'-[(1-ethylcyclopropyl)methyl]-2-methyl-1-phenylpropane-1,3-diamine?
The IUPAC name of N'-[(1-ethylcyclopropyl)methyl]-2-methyl-1-phenylpropane-1,3-diamine (CID 114100617) is N'-[(1-ethylcyclopropyl)methyl]-2-methyl-1-phenylpropane-1,3-diamine.
What is the SMILES notation for N'-[(1-ethylcyclopropyl)methyl]-2-methyl-1-phenylpropane-1,3-diamine?
The canonical SMILES for N'-[(1-ethylcyclopropyl)methyl]-2-methyl-1-phenylpropane-1,3-diamine is CCC1(CNCC(C)C(N)c2ccccc2)CC1.
What is the InChIKey of N'-[(1-ethylcyclopropyl)methyl]-2-methyl-1-phenylpropane-1,3-diamine?
The InChIKey is HPDPXRZXZZTECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-3-16(9-10-16)12-18-11-13(2)15(17)14-7-5-4-6-8-14/h4-8,13,15,18H,3,9-12,17H2,1-2H3.
What are the key properties of N'-[(1-ethylcyclopropyl)methyl]-2-methyl-1-phenylpropane-1,3-diamine?
N'-[(1-ethylcyclopropyl)methyl]-2-methyl-1-phenylpropane-1,3-diamine has a molecular weight of 246.40 g/mol, XLogP of 3.10, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1-ethylcyclopropyl)methyl]-2-methyl-1-phenylpropane-1,3-diamine is sourced from PubChem (CID 114100617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).