N-propan-2-yl-3-[2-[2-(propan-2-ylamino)ethyl]cyclopropyl]oxypropan-1-amine

C14H30N2O — CID 170206066

IUPACN-propan-2-yl-3-[2-[2-(propan-2-ylamino)ethyl]cyclopropyl]oxypropan-1-amine
SMILESCC(C)NCCCOC1CC1CCNC(C)C
InChIInChI=1S/C14H30N2O/c1-11(2)15-7-5-9-17-14-10-13(14)6-8-16-12(3)4/h11-16H,5-10H2,1-4H3
InChIKeyZGGMMKHQPKJENF-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.17
Rot. Bonds10

About N-propan-2-yl-3-[2-[2-(propan-2-ylamino)ethyl]cyclopropyl]oxypropan-1-amine

N-propan-2-yl-3-[2-[2-(propan-2-ylamino)ethyl]cyclopropyl]oxypropan-1-amine (PubChem CID 170206066) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is N-propan-2-yl-3-[2-[2-(propan-2-ylamino)ethyl]cyclopropyl]oxypropan-1-amine.

Molecular Properties

Compound NameN-propan-2-yl-3-[2-[2-(propan-2-ylamino)ethyl]cyclopropyl]oxypropan-1-amine
PubChem CID170206066
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC NameN-propan-2-yl-3-[2-[2-(propan-2-ylamino)ethyl]cyclopropyl]oxypropan-1-amine
SMILESCC(C)NCCCOC1CC1CCNC(C)C
InChIInChI=1S/C14H30N2O/c1-11(2)15-7-5-9-17-14-10-13(14)6-8-16-12(3)4/h11-16H,5-10H2,1-4H3
InChIKeyZGGMMKHQPKJENF-UHFFFAOYSA-N
XLogP2.17
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-propan-2-yl-3-[2-[2-(propan-2-ylamino)ethyl]cyclopropyl]oxypropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-3-[2-[2-(propan-2-ylamino)ethyl]cyclopropyl]oxypropan-1-amine?
The IUPAC name of N-propan-2-yl-3-[2-[2-(propan-2-ylamino)ethyl]cyclopropyl]oxypropan-1-amine (CID 170206066) is N-propan-2-yl-3-[2-[2-(propan-2-ylamino)ethyl]cyclopropyl]oxypropan-1-amine.
What is the SMILES notation for N-propan-2-yl-3-[2-[2-(propan-2-ylamino)ethyl]cyclopropyl]oxypropan-1-amine?
The canonical SMILES for N-propan-2-yl-3-[2-[2-(propan-2-ylamino)ethyl]cyclopropyl]oxypropan-1-amine is CC(C)NCCCOC1CC1CCNC(C)C.
What is the InChIKey of N-propan-2-yl-3-[2-[2-(propan-2-ylamino)ethyl]cyclopropyl]oxypropan-1-amine?
The InChIKey is ZGGMMKHQPKJENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-11(2)15-7-5-9-17-14-10-13(14)6-8-16-12(3)4/h11-16H,5-10H2,1-4H3.
What are the key properties of N-propan-2-yl-3-[2-[2-(propan-2-ylamino)ethyl]cyclopropyl]oxypropan-1-amine?
N-propan-2-yl-3-[2-[2-(propan-2-ylamino)ethyl]cyclopropyl]oxypropan-1-amine has a molecular weight of 242.41 g/mol, XLogP of 2.17, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-3-[2-[2-(propan-2-ylamino)ethyl]cyclopropyl]oxypropan-1-amine is sourced from PubChem (CID 170206066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).