N-cyclopropyl-2-ethyl-N'-(1-methoxypropan-2-yl)-N',2-dimethylpropane-1,3-diamine

C14H30N2O — CID 55056566

IUPACN-cyclopropyl-2-ethyl-N'-(1-methoxypropan-2-yl)-N',2-dimethylpropane-1,3-diamine
SMILESCCC(C)(CNC1CC1)CN(C)C(C)COC
InChIInChI=1S/C14H30N2O/c1-6-14(3,10-15-13-7-8-13)11-16(4)12(2)9-17-5/h12-13,15H,6-11H2,1-5H3
InChIKeyVAYVQFPFFUUTJT-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.12
Rot. Bonds9

About N-cyclopropyl-2-ethyl-N'-(1-methoxypropan-2-yl)-N',2-dimethylpropane-1,3-diamine

N-cyclopropyl-2-ethyl-N'-(1-methoxypropan-2-yl)-N',2-dimethylpropane-1,3-diamine (PubChem CID 55056566) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is N-cyclopropyl-2-ethyl-N'-(1-methoxypropan-2-yl)-N',2-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-cyclopropyl-2-ethyl-N'-(1-methoxypropan-2-yl)-N',2-dimethylpropane-1,3-diamine
PubChem CID55056566
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC NameN-cyclopropyl-2-ethyl-N'-(1-methoxypropan-2-yl)-N',2-dimethylpropane-1,3-diamine
SMILESCCC(C)(CNC1CC1)CN(C)C(C)COC
InChIInChI=1S/C14H30N2O/c1-6-14(3,10-15-13-7-8-13)11-16(4)12(2)9-17-5/h12-13,15H,6-11H2,1-5H3
InChIKeyVAYVQFPFFUUTJT-UHFFFAOYSA-N
XLogP2.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-ethyl-N'-(1-methoxypropan-2-yl)-N',2-dimethylpropane-1,3-diamine?
The IUPAC name of N-cyclopropyl-2-ethyl-N'-(1-methoxypropan-2-yl)-N',2-dimethylpropane-1,3-diamine (CID 55056566) is N-cyclopropyl-2-ethyl-N'-(1-methoxypropan-2-yl)-N',2-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-cyclopropyl-2-ethyl-N'-(1-methoxypropan-2-yl)-N',2-dimethylpropane-1,3-diamine?
The canonical SMILES for N-cyclopropyl-2-ethyl-N'-(1-methoxypropan-2-yl)-N',2-dimethylpropane-1,3-diamine is CCC(C)(CNC1CC1)CN(C)C(C)COC.
What is the InChIKey of N-cyclopropyl-2-ethyl-N'-(1-methoxypropan-2-yl)-N',2-dimethylpropane-1,3-diamine?
The InChIKey is VAYVQFPFFUUTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-6-14(3,10-15-13-7-8-13)11-16(4)12(2)9-17-5/h12-13,15H,6-11H2,1-5H3.
What are the key properties of N-cyclopropyl-2-ethyl-N'-(1-methoxypropan-2-yl)-N',2-dimethylpropane-1,3-diamine?
N-cyclopropyl-2-ethyl-N'-(1-methoxypropan-2-yl)-N',2-dimethylpropane-1,3-diamine has a molecular weight of 242.41 g/mol, XLogP of 2.12, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-ethyl-N'-(1-methoxypropan-2-yl)-N',2-dimethylpropane-1,3-diamine is sourced from PubChem (CID 55056566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).