N-(thiophen-3-ylmethyl)heptan-3-amine

C12H21NS — CID 63946949

IUPACN-(thiophen-3-ylmethyl)heptan-3-amine
SMILESCCCCC(CC)NCc1ccsc1
InChIInChI=1S/C12H21NS/c1-3-5-6-12(4-2)13-9-11-7-8-14-10-11/h7-8,10,12-13H,3-6,9H2,1-2H3
InChIKeyMYYUECVXRKFXOI-UHFFFAOYSA-N
MW211.37 g/mol
LogP3.81
Rot. Bonds7

About N-(thiophen-3-ylmethyl)heptan-3-amine

N-(thiophen-3-ylmethyl)heptan-3-amine (PubChem CID 63946949) has the molecular formula C12H21NS and a molecular weight of 211.37 g/mol. Its IUPAC name is N-(thiophen-3-ylmethyl)heptan-3-amine.

Molecular Properties

Compound NameN-(thiophen-3-ylmethyl)heptan-3-amine
PubChem CID63946949
Molecular FormulaC12H21NS
Molecular Weight211.37 g/mol
Exact Mass211.14
IUPAC NameN-(thiophen-3-ylmethyl)heptan-3-amine
SMILESCCCCC(CC)NCc1ccsc1
InChIInChI=1S/C12H21NS/c1-3-5-6-12(4-2)13-9-11-7-8-14-10-11/h7-8,10,12-13H,3-6,9H2,1-2H3
InChIKeyMYYUECVXRKFXOI-UHFFFAOYSA-N
XLogP3.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.37
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-N-(thiophen-3-ylmethyl)heptan-3-amine
CID 63247789
N-propyl-1-thiophen-3-ylheptan-3-amine
CID 79411760
N-(pyridin-4-ylmethyl)heptan-3-amine
CID 63947303
2,6-dimethyl-N-(thiophen-3-ylmethyl)heptan-4-amine
CID 63248200
2-(thiophen-3-ylmethylamino)propane-1,3-diol
CID 65312761
N-[(3-methylphenyl)methyl]heptan-3-amine
CID 63946684
N-(thiophen-3-ylmethyl)butan-1-amine;hydrochloride
CID 17332318
N-[(3-chlorophenyl)methyl]heptan-3-amine
CID 4712076
3-[(octan-3-ylamino)methyl]phenol
CID 82364591
1-N,1-N-diethyl-4-N-(thiophen-3-ylmethyl)pentane-1,4-diamine
CID 43178391
N-[(6-methoxy-3-pyridinyl)methyl]heptan-3-amine
CID 63946078
N-pentan-2-yl-2-(thiophen-3-ylmethylamino)propanamide
CID 61067971

Frequently Asked Questions

What is the IUPAC name of N-(thiophen-3-ylmethyl)heptan-3-amine?
The IUPAC name of N-(thiophen-3-ylmethyl)heptan-3-amine (CID 63946949) is N-(thiophen-3-ylmethyl)heptan-3-amine.
What is the SMILES notation for N-(thiophen-3-ylmethyl)heptan-3-amine?
The canonical SMILES for N-(thiophen-3-ylmethyl)heptan-3-amine is CCCCC(CC)NCc1ccsc1.
What is the InChIKey of N-(thiophen-3-ylmethyl)heptan-3-amine?
The InChIKey is MYYUECVXRKFXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NS/c1-3-5-6-12(4-2)13-9-11-7-8-14-10-11/h7-8,10,12-13H,3-6,9H2,1-2H3.
What are the key properties of N-(thiophen-3-ylmethyl)heptan-3-amine?
N-(thiophen-3-ylmethyl)heptan-3-amine has a molecular weight of 211.37 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiophen-3-ylmethyl)heptan-3-amine is sourced from PubChem (CID 63946949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).