N-[[(2S,3S,5R)-3-(cyclopentylmethyl)-5-methyloxolan-2-yl]methyl]-N-(2-piperidin-1-ylethyl)heptan-1-amine

C26H50N2O — CID 143882496

IUPACN-[[(2S,3S,5R)-3-(cyclopentylmethyl)-5-methyloxolan-2-yl]methyl]-N-(2-piperidin-1-ylethyl)heptan-1-amine
SMILESCCCCCCCN(CCN1CCCCC1)C[C@H]1O[C@H](C)C[C@@H]1CC1CCCC1
InChIInChI=1S/C26H50N2O/c1-3-4-5-6-10-17-28(19-18-27-15-11-7-12-16-27)22-26-25(20-23(2)29-26)21-24-13-8-9-14-24/h23-26H,3-22H2,1-2H3/t23-,25-,26-/m1/s1
InChIKeyMWGOEHGUDINBAD-LGPLSSKUSA-N
MW406.70 g/mol
LogP6.12
Rot. Bonds13

About N-[[(2S,3S,5R)-3-(cyclopentylmethyl)-5-methyloxolan-2-yl]methyl]-N-(2-piperidin-1-ylethyl)heptan-1-amine

N-[[(2S,3S,5R)-3-(cyclopentylmethyl)-5-methyloxolan-2-yl]methyl]-N-(2-piperidin-1-ylethyl)heptan-1-amine (PubChem CID 143882496) has the molecular formula C26H50N2O and a molecular weight of 406.70 g/mol. Its IUPAC name is N-[[(2S,3S,5R)-3-(cyclopentylmethyl)-5-methyloxolan-2-yl]methyl]-N-(2-piperidin-1-ylethyl)heptan-1-amine.

Molecular Properties

Compound NameN-[[(2S,3S,5R)-3-(cyclopentylmethyl)-5-methyloxolan-2-yl]methyl]-N-(2-piperidin-1-ylethyl)heptan-1-amine
PubChem CID143882496
Molecular FormulaC26H50N2O
Molecular Weight406.70 g/mol
Exact Mass406.39
IUPAC NameN-[[(2S,3S,5R)-3-(cyclopentylmethyl)-5-methyloxolan-2-yl]methyl]-N-(2-piperidin-1-ylethyl)heptan-1-amine
SMILESCCCCCCCN(CCN1CCCCC1)C[C@H]1O[C@H](C)C[C@@H]1CC1CCCC1
InChIInChI=1S/C26H50N2O/c1-3-4-5-6-10-17-28(19-18-27-15-11-7-12-16-27)22-26-25(20-23(2)29-26)21-24-13-8-9-14-24/h23-26H,3-22H2,1-2H3/t23-,25-,26-/m1/s1
InChIKeyMWGOEHGUDINBAD-LGPLSSKUSA-N
XLogP6.12
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.70
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[(2S,3S,5R)-3-(cyclopentylmethyl)-5-methyloxolan-2-yl]methyl]-N-(2-piperidin-1-ylethyl)heptan-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

Related Compounds

CID 70350899
CID 70350899
CID 153494473
CID 153494473
CID 156046102
CID 156046102
CID 159084700
CID 159084700
CID 160175486
CID 160175486
CID 160175487
CID 160175487
CID 170028528
CID 170028528
CID 176399761
CID 176399761
CID 45247816
CID 45247816
CID 100683398
CID 100683398
CID 102896441
CID 102896441
CID 102896442
CID 102896442

Frequently Asked Questions

What is the IUPAC name of N-[[(2S,3S,5R)-3-(cyclopentylmethyl)-5-methyloxolan-2-yl]methyl]-N-(2-piperidin-1-ylethyl)heptan-1-amine?
The IUPAC name of N-[[(2S,3S,5R)-3-(cyclopentylmethyl)-5-methyloxolan-2-yl]methyl]-N-(2-piperidin-1-ylethyl)heptan-1-amine (CID 143882496) is N-[[(2S,3S,5R)-3-(cyclopentylmethyl)-5-methyloxolan-2-yl]methyl]-N-(2-piperidin-1-ylethyl)heptan-1-amine.
What is the SMILES notation for N-[[(2S,3S,5R)-3-(cyclopentylmethyl)-5-methyloxolan-2-yl]methyl]-N-(2-piperidin-1-ylethyl)heptan-1-amine?
The canonical SMILES for N-[[(2S,3S,5R)-3-(cyclopentylmethyl)-5-methyloxolan-2-yl]methyl]-N-(2-piperidin-1-ylethyl)heptan-1-amine is CCCCCCCN(CCN1CCCCC1)C[C@H]1O[C@H](C)C[C@@H]1CC1CCCC1.
What is the InChIKey of N-[[(2S,3S,5R)-3-(cyclopentylmethyl)-5-methyloxolan-2-yl]methyl]-N-(2-piperidin-1-ylethyl)heptan-1-amine?
The InChIKey is MWGOEHGUDINBAD-LGPLSSKUSA-N. The full InChI is InChI=1S/C26H50N2O/c1-3-4-5-6-10-17-28(19-18-27-15-11-7-12-16-27)22-26-25(20-23(2)29-26)21-24-13-8-9-14-24/h23-26H,3-22H2,1-2H3/t23-,25-,26-/m1/s1.
What are the key properties of N-[[(2S,3S,5R)-3-(cyclopentylmethyl)-5-methyloxolan-2-yl]methyl]-N-(2-piperidin-1-ylethyl)heptan-1-amine?
N-[[(2S,3S,5R)-3-(cyclopentylmethyl)-5-methyloxolan-2-yl]methyl]-N-(2-piperidin-1-ylethyl)heptan-1-amine has a molecular weight of 406.70 g/mol, XLogP of 6.12, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,3S,5R)-3-(cyclopentylmethyl)-5-methyloxolan-2-yl]methyl]-N-(2-piperidin-1-ylethyl)heptan-1-amine is sourced from PubChem (CID 143882496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).