N-[[2-[4-(2-methoxyethyl)piperazin-2-yl]cyclopropyl]methyl]propan-1-amine

C14H29N3O — CID 142028250

IUPACN-[[2-[4-(2-methoxyethyl)piperazin-2-yl]cyclopropyl]methyl]propan-1-amine
SMILESCCCNCC1CC1C1CN(CCOC)CCN1
InChIInChI=1S/C14H29N3O/c1-3-4-15-10-12-9-13(12)14-11-17(6-5-16-14)7-8-18-2/h12-16H,3-11H2,1-2H3
InChIKeyALGDZIOVQDRVQG-UHFFFAOYSA-N
MW255.41 g/mol
LogP0.54
Rot. Bonds8

About N-[[2-[4-(2-methoxyethyl)piperazin-2-yl]cyclopropyl]methyl]propan-1-amine

N-[[2-[4-(2-methoxyethyl)piperazin-2-yl]cyclopropyl]methyl]propan-1-amine (PubChem CID 142028250) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is N-[[2-[4-(2-methoxyethyl)piperazin-2-yl]cyclopropyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-[4-(2-methoxyethyl)piperazin-2-yl]cyclopropyl]methyl]propan-1-amine
PubChem CID142028250
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC NameN-[[2-[4-(2-methoxyethyl)piperazin-2-yl]cyclopropyl]methyl]propan-1-amine
SMILESCCCNCC1CC1C1CN(CCOC)CCN1
InChIInChI=1S/C14H29N3O/c1-3-4-15-10-12-9-13(12)14-11-17(6-5-16-14)7-8-18-2/h12-16H,3-11H2,1-2H3
InChIKeyALGDZIOVQDRVQG-UHFFFAOYSA-N
XLogP0.54
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 ≤ 50.54
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-[4-(2-methoxyethyl)piperazin-2-yl]cyclopropyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-[4-(2-methoxyethyl)piperazin-2-yl]cyclopropyl]methyl]propan-1-amine (CID 142028250) is N-[[2-[4-(2-methoxyethyl)piperazin-2-yl]cyclopropyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-[4-(2-methoxyethyl)piperazin-2-yl]cyclopropyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-[4-(2-methoxyethyl)piperazin-2-yl]cyclopropyl]methyl]propan-1-amine is CCCNCC1CC1C1CN(CCOC)CCN1.
What is the InChIKey of N-[[2-[4-(2-methoxyethyl)piperazin-2-yl]cyclopropyl]methyl]propan-1-amine?
The InChIKey is ALGDZIOVQDRVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-3-4-15-10-12-9-13(12)14-11-17(6-5-16-14)7-8-18-2/h12-16H,3-11H2,1-2H3.
What are the key properties of N-[[2-[4-(2-methoxyethyl)piperazin-2-yl]cyclopropyl]methyl]propan-1-amine?
N-[[2-[4-(2-methoxyethyl)piperazin-2-yl]cyclopropyl]methyl]propan-1-amine has a molecular weight of 255.41 g/mol, XLogP of 0.54, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[4-(2-methoxyethyl)piperazin-2-yl]cyclopropyl]methyl]propan-1-amine is sourced from PubChem (CID 142028250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).