N-propan-2-yl-10,12-dithia-11-phosphabicyclo[6.5.1]tetradecan-4-amine

C14H28NPS2 — CID 138690117

IUPACN-propan-2-yl-10,12-dithia-11-phosphabicyclo[6.5.1]tetradecan-4-amine
SMILESCC(C)NC1CCCC2CSPSCC(CC1)C2
InChIInChI=1S/C14H28NPS2/c1-11(2)15-14-5-3-4-12-8-13(6-7-14)10-18-16-17-9-12/h11-16H,3-10H2,1-2H3
InChIKeySECUHMIOURBBBC-UHFFFAOYSA-N
MW305.49 g/mol
LogP4.93
Rot. Bonds2

About N-propan-2-yl-10,12-dithia-11-phosphabicyclo[6.5.1]tetradecan-4-amine

N-propan-2-yl-10,12-dithia-11-phosphabicyclo[6.5.1]tetradecan-4-amine (PubChem CID 138690117) has the molecular formula C14H28NPS2 and a molecular weight of 305.49 g/mol. Its IUPAC name is N-propan-2-yl-10,12-dithia-11-phosphabicyclo[6.5.1]tetradecan-4-amine.

Molecular Properties

Compound NameN-propan-2-yl-10,12-dithia-11-phosphabicyclo[6.5.1]tetradecan-4-amine
PubChem CID138690117
Molecular FormulaC14H28NPS2
Molecular Weight305.49 g/mol
Exact Mass305.14
IUPAC NameN-propan-2-yl-10,12-dithia-11-phosphabicyclo[6.5.1]tetradecan-4-amine
SMILESCC(C)NC1CCCC2CSPSCC(CC1)C2
InChIInChI=1S/C14H28NPS2/c1-11(2)15-14-5-3-4-12-8-13(6-7-14)10-18-16-17-9-12/h11-16H,3-10H2,1-2H3
InChIKeySECUHMIOURBBBC-UHFFFAOYSA-N
XLogP4.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.49
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-propan-2-yl-10,12-dithia-11-phosphabicyclo[6.5.1]tetradecan-4-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

N-propan-2-ylbicyclo[3.3.1]nonan-3-amine
CID 59530623
N-propan-2-ylcycloheptanamine
CID 42562651
1,4-dimethylcyclohexane;4-methyl-N-propan-2-ylcyclohexan-1-amine
CID 158687236
4-N,4-N-dimethyl-1-N-propan-2-ylcyclohexane-1,4-diamine
CID 66569320
4-tert-butyl-N-propan-2-ylcycloheptan-1-amine
CID 65090392
4-N-propan-2-ylcyclohexane-1,4-diamine
CID 23346808
1-N,3-N,5-N-tri(propan-2-yl)cyclohexane-1,3,5-triamine
CID 101492125
N-[1-(1-adamantyl)ethyl]cyclohexanamine
CID 11777452
N-[(1R,3S)-3-(propan-2-ylamino)cyclohexyl]acetamide
CID 139573748
(1R)-3-methyl-N-propan-2-ylcyclopentan-1-amine
CID 58394376
trans-(1S,3S)-3-methyl-N-propan-2-ylcyclopentan-1-amine
CID 58394445
ethane;1-N-methyl-4-N-propan-2-ylcyclohexane-1,4-diamine;molecular hydrogen
CID 177228203

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-10,12-dithia-11-phosphabicyclo[6.5.1]tetradecan-4-amine?
The IUPAC name of N-propan-2-yl-10,12-dithia-11-phosphabicyclo[6.5.1]tetradecan-4-amine (CID 138690117) is N-propan-2-yl-10,12-dithia-11-phosphabicyclo[6.5.1]tetradecan-4-amine.
What is the SMILES notation for N-propan-2-yl-10,12-dithia-11-phosphabicyclo[6.5.1]tetradecan-4-amine?
The canonical SMILES for N-propan-2-yl-10,12-dithia-11-phosphabicyclo[6.5.1]tetradecan-4-amine is CC(C)NC1CCCC2CSPSCC(CC1)C2.
What is the InChIKey of N-propan-2-yl-10,12-dithia-11-phosphabicyclo[6.5.1]tetradecan-4-amine?
The InChIKey is SECUHMIOURBBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28NPS2/c1-11(2)15-14-5-3-4-12-8-13(6-7-14)10-18-16-17-9-12/h11-16H,3-10H2,1-2H3.
What are the key properties of N-propan-2-yl-10,12-dithia-11-phosphabicyclo[6.5.1]tetradecan-4-amine?
N-propan-2-yl-10,12-dithia-11-phosphabicyclo[6.5.1]tetradecan-4-amine has a molecular weight of 305.49 g/mol, XLogP of 4.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-10,12-dithia-11-phosphabicyclo[6.5.1]tetradecan-4-amine is sourced from PubChem (CID 138690117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).