N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]-N-propylcyclopropanamine

C16H32N2O — CID 63739769

IUPACN-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]-N-propylcyclopropanamine
SMILESCCCN(CC1(CNC(C)C)CCCOC1)C1CC1
InChIInChI=1S/C16H32N2O/c1-4-9-18(15-6-7-15)12-16(11-17-14(2)3)8-5-10-19-13-16/h14-15,17H,4-13H2,1-3H3
InChIKeyCAKDTOZMZFFAEF-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.66
Rot. Bonds8

About N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]-N-propylcyclopropanamine

N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]-N-propylcyclopropanamine (PubChem CID 63739769) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]-N-propylcyclopropanamine.

Molecular Properties

Compound NameN-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]-N-propylcyclopropanamine
PubChem CID63739769
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC NameN-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]-N-propylcyclopropanamine
SMILESCCCN(CC1(CNC(C)C)CCCOC1)C1CC1
InChIInChI=1S/C16H32N2O/c1-4-9-18(15-6-7-15)12-16(11-17-14(2)3)8-5-10-19-13-16/h14-15,17H,4-13H2,1-3H3
InChIKeyCAKDTOZMZFFAEF-UHFFFAOYSA-N
XLogP2.66
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]-N-propylcyclopropanamine 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

3-[cyclobutyl-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]amino]propan-1-ol
CID 102870858
N-[[1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]-N-propylcyclopropanamine
CID 62263505
N-methyl-N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]cyclopropanamine
CID 55242043
N-butyl-N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]butan-1-amine
CID 63742061
N-ethyl-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]cyclohexanamine
CID 62262409
N,2-dimethyl-N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]butan-2-amine
CID 63965868
N-[[3-[[propan-2-yl(propyl)amino]methyl]oxan-3-yl]methyl]cyclopropanamine
CID 63741893
N-[[3-[[ethyl(2-methoxyethyl)amino]methyl]oxan-3-yl]methyl]propan-2-amine
CID 55243988
N-[[3-[[2-methoxyethyl(propan-2-yl)amino]methyl]oxan-3-yl]methyl]propan-2-amine
CID 82952450
2-N-ethyl-1-N,1-N-dimethyl-2-N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]propane-1,2-diamine
CID 103191393
3-[[cyclopropyl(propyl)amino]methyl]oxane-3-carbaldehyde
CID 63742033
N-[[3-[(dipropylamino)methyl]oxan-3-yl]methyl]cyclopropanamine
CID 63740282

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]-N-propylcyclopropanamine?
The IUPAC name of N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]-N-propylcyclopropanamine (CID 63739769) is N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]-N-propylcyclopropanamine.
What is the SMILES notation for N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]-N-propylcyclopropanamine?
The canonical SMILES for N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]-N-propylcyclopropanamine is CCCN(CC1(CNC(C)C)CCCOC1)C1CC1.
What is the InChIKey of N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]-N-propylcyclopropanamine?
The InChIKey is CAKDTOZMZFFAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-4-9-18(15-6-7-15)12-16(11-17-14(2)3)8-5-10-19-13-16/h14-15,17H,4-13H2,1-3H3.
What are the key properties of N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]-N-propylcyclopropanamine?
N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]-N-propylcyclopropanamine has a molecular weight of 268.44 g/mol, XLogP of 2.66, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]-N-propylcyclopropanamine is sourced from PubChem (CID 63739769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).