N-[2-(cyclopropylmethoxy)ethyl]-2-methyl-2-piperazin-1-ylpropan-1-amine

C14H29N3O — CID 114098823

IUPACN-[2-(cyclopropylmethoxy)ethyl]-2-methyl-2-piperazin-1-ylpropan-1-amine
SMILESCC(C)(CNCCOCC1CC1)N1CCNCC1
InChIInChI=1S/C14H29N3O/c1-14(2,17-8-5-15-6-9-17)12-16-7-10-18-11-13-3-4-13/h13,15-16H,3-12H2,1-2H3
InChIKeySSNGKJFLBPPIQO-UHFFFAOYSA-N
MW255.41 g/mol
LogP0.69
Rot. Bonds8

About N-[2-(cyclopropylmethoxy)ethyl]-2-methyl-2-piperazin-1-ylpropan-1-amine

N-[2-(cyclopropylmethoxy)ethyl]-2-methyl-2-piperazin-1-ylpropan-1-amine (PubChem CID 114098823) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is N-[2-(cyclopropylmethoxy)ethyl]-2-methyl-2-piperazin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-[2-(cyclopropylmethoxy)ethyl]-2-methyl-2-piperazin-1-ylpropan-1-amine
PubChem CID114098823
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC NameN-[2-(cyclopropylmethoxy)ethyl]-2-methyl-2-piperazin-1-ylpropan-1-amine
SMILESCC(C)(CNCCOCC1CC1)N1CCNCC1
InChIInChI=1S/C14H29N3O/c1-14(2,17-8-5-15-6-9-17)12-16-7-10-18-11-13-3-4-13/h13,15-16H,3-12H2,1-2H3
InChIKeySSNGKJFLBPPIQO-UHFFFAOYSA-N
XLogP0.69
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[2-(cyclopropylmethoxy)ethyl]-2-methyl-2-piperazin-1-ylpropan-1-amine?
The IUPAC name of N-[2-(cyclopropylmethoxy)ethyl]-2-methyl-2-piperazin-1-ylpropan-1-amine (CID 114098823) is N-[2-(cyclopropylmethoxy)ethyl]-2-methyl-2-piperazin-1-ylpropan-1-amine.
What is the SMILES notation for N-[2-(cyclopropylmethoxy)ethyl]-2-methyl-2-piperazin-1-ylpropan-1-amine?
The canonical SMILES for N-[2-(cyclopropylmethoxy)ethyl]-2-methyl-2-piperazin-1-ylpropan-1-amine is CC(C)(CNCCOCC1CC1)N1CCNCC1.
What is the InChIKey of N-[2-(cyclopropylmethoxy)ethyl]-2-methyl-2-piperazin-1-ylpropan-1-amine?
The InChIKey is SSNGKJFLBPPIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-14(2,17-8-5-15-6-9-17)12-16-7-10-18-11-13-3-4-13/h13,15-16H,3-12H2,1-2H3.
What are the key properties of N-[2-(cyclopropylmethoxy)ethyl]-2-methyl-2-piperazin-1-ylpropan-1-amine?
N-[2-(cyclopropylmethoxy)ethyl]-2-methyl-2-piperazin-1-ylpropan-1-amine has a molecular weight of 255.41 g/mol, XLogP of 0.69, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylmethoxy)ethyl]-2-methyl-2-piperazin-1-ylpropan-1-amine is sourced from PubChem (CID 114098823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).