N-propan-2-yl-6-thiophen-2-ylhexan-1-amine

C13H23NS — CID 65308474

IUPACN-propan-2-yl-6-thiophen-2-ylhexan-1-amine
SMILESCC(C)NCCCCCCc1cccs1
InChIInChI=1S/C13H23NS/c1-12(2)14-10-6-4-3-5-8-13-9-7-11-15-13/h7,9,11-12,14H,3-6,8,10H2,1-2H3
InChIKeyDRMKFLXAOMGDFO-UHFFFAOYSA-N
MW225.40 g/mol
LogP3.85
Rot. Bonds8

About N-propan-2-yl-6-thiophen-2-ylhexan-1-amine

N-propan-2-yl-6-thiophen-2-ylhexan-1-amine (PubChem CID 65308474) has the molecular formula C13H23NS and a molecular weight of 225.40 g/mol. Its IUPAC name is N-propan-2-yl-6-thiophen-2-ylhexan-1-amine.

Molecular Properties

Compound NameN-propan-2-yl-6-thiophen-2-ylhexan-1-amine
PubChem CID65308474
Molecular FormulaC13H23NS
Molecular Weight225.40 g/mol
Exact Mass225.16
IUPAC NameN-propan-2-yl-6-thiophen-2-ylhexan-1-amine
SMILESCC(C)NCCCCCCc1cccs1
InChIInChI=1S/C13H23NS/c1-12(2)14-10-6-4-3-5-8-13-9-7-11-15-13/h7,9,11-12,14H,3-6,8,10H2,1-2H3
InChIKeyDRMKFLXAOMGDFO-UHFFFAOYSA-N
XLogP3.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.40
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-propan-2-yl-N-(thiophen-2-ylmethyl)butane-1,4-diamine
CID 61151397
3-methyl-N-(3-thiophen-2-ylpropyl)butan-2-amine
CID 115897426
1-N,1-N-diethyl-2-N-(4-thiophen-2-ylbutyl)propane-1,2-diamine
CID 113408512
N-ethyl-6-thiophen-2-ylhexan-1-amine
CID 65308427
N-butyl-5-thiophen-2-ylpentan-1-amine
CID 83980454
N-(1-cyclopentylethyl)-3-thiophen-2-ylpropan-1-amine
CID 115897402
1-N-cyclopropyl-2-N-(4-thiophen-2-ylbutyl)propane-1,2-diamine
CID 113407448
N-(3-thiophen-2-ylpropyl)hexan-2-amine
CID 115897415
N-butyl-4-thiophen-2-ylbutan-1-amine
CID 60984563
N-(1-azulen-1-ylethyl)-4-thiophen-2-ylbutan-1-amine
CID 68813363
N'-ethyl-N-propan-2-yl-N'-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 63774752
2-(6-thiophen-2-ylhexan-2-ylamino)ethanol
CID 83980461

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-6-thiophen-2-ylhexan-1-amine?
The IUPAC name of N-propan-2-yl-6-thiophen-2-ylhexan-1-amine (CID 65308474) is N-propan-2-yl-6-thiophen-2-ylhexan-1-amine.
What is the SMILES notation for N-propan-2-yl-6-thiophen-2-ylhexan-1-amine?
The canonical SMILES for N-propan-2-yl-6-thiophen-2-ylhexan-1-amine is CC(C)NCCCCCCc1cccs1.
What is the InChIKey of N-propan-2-yl-6-thiophen-2-ylhexan-1-amine?
The InChIKey is DRMKFLXAOMGDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NS/c1-12(2)14-10-6-4-3-5-8-13-9-7-11-15-13/h7,9,11-12,14H,3-6,8,10H2,1-2H3.
What are the key properties of N-propan-2-yl-6-thiophen-2-ylhexan-1-amine?
N-propan-2-yl-6-thiophen-2-ylhexan-1-amine has a molecular weight of 225.40 g/mol, XLogP of 3.85, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-6-thiophen-2-ylhexan-1-amine is sourced from PubChem (CID 65308474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).