1-cyclopropyl-N-[3-(oxan-2-yl)propyl]propan-2-amine

C14H27NO — CID 104629286

IUPAC1-cyclopropyl-N-[3-(oxan-2-yl)propyl]propan-2-amine
SMILESCC(CC1CC1)NCCCC1CCCCO1
InChIInChI=1S/C14H27NO/c1-12(11-13-7-8-13)15-9-4-6-14-5-2-3-10-16-14/h12-15H,2-11H2,1H3
InChIKeyOMVMPPWZPDAXIU-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.11
Rot. Bonds7

About 1-cyclopropyl-N-[3-(oxan-2-yl)propyl]propan-2-amine

1-cyclopropyl-N-[3-(oxan-2-yl)propyl]propan-2-amine (PubChem CID 104629286) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-cyclopropyl-N-[3-(oxan-2-yl)propyl]propan-2-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-[3-(oxan-2-yl)propyl]propan-2-amine
PubChem CID104629286
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name1-cyclopropyl-N-[3-(oxan-2-yl)propyl]propan-2-amine
SMILESCC(CC1CC1)NCCCC1CCCCO1
InChIInChI=1S/C14H27NO/c1-12(11-13-7-8-13)15-9-4-6-14-5-2-3-10-16-14/h12-15H,2-11H2,1H3
InChIKeyOMVMPPWZPDAXIU-UHFFFAOYSA-N
XLogP3.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-cyclopropyl-N-[3-(oxan-2-yl)propyl]propan-2-amine with MolForge

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

Launch Full Analysis

Related Compounds

1-methoxy-N-[3-(oxan-2-yl)propyl]propan-2-amine
CID 104626329
(2R)-2-N-[3-(oxolan-2-yl)propyl]propane-1,2-diamine
CID 104868334
N-[(1R)-1-cyclohexylethyl]-3-(oxolan-2-yl)propan-1-amine
CID 81385044
1-cyclopropyl-N-(3-cyclopropylpropyl)propan-2-amine
CID 115890825
N-[3-(oxolan-2-yl)propyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 65163462
5-(oxolan-2-yl)-N-propan-2-ylpentan-1-amine
CID 65166491
N-(dicyclopropylmethyl)-3-(oxolan-2-yl)propan-1-amine
CID 65163624
N-[1-(oxolan-2-yl)propan-2-yl]pentan-1-amine
CID 115705777
4-methylsulfinyl-N-[3-(oxolan-2-yl)propyl]butan-2-amine
CID 104668694
4-ethoxy-N-[1-(oxolan-2-yl)propan-2-yl]butan-1-amine
CID 115710165
1-N-(2-methoxyethyl)-2-N-[3-(oxolan-2-yl)propyl]propane-1,2-diamine
CID 113407671
2-[3-(oxan-2-yl)propyl]oxane
CID 71182925

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[3-(oxan-2-yl)propyl]propan-2-amine?
The IUPAC name of 1-cyclopropyl-N-[3-(oxan-2-yl)propyl]propan-2-amine (CID 104629286) is 1-cyclopropyl-N-[3-(oxan-2-yl)propyl]propan-2-amine.
What is the SMILES notation for 1-cyclopropyl-N-[3-(oxan-2-yl)propyl]propan-2-amine?
The canonical SMILES for 1-cyclopropyl-N-[3-(oxan-2-yl)propyl]propan-2-amine is CC(CC1CC1)NCCCC1CCCCO1.
What is the InChIKey of 1-cyclopropyl-N-[3-(oxan-2-yl)propyl]propan-2-amine?
The InChIKey is OMVMPPWZPDAXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-12(11-13-7-8-13)15-9-4-6-14-5-2-3-10-16-14/h12-15H,2-11H2,1H3.
What are the key properties of 1-cyclopropyl-N-[3-(oxan-2-yl)propyl]propan-2-amine?
1-cyclopropyl-N-[3-(oxan-2-yl)propyl]propan-2-amine has a molecular weight of 225.38 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[3-(oxan-2-yl)propyl]propan-2-amine is sourced from PubChem (CID 104629286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).