N-propyl-3-propylsulfanylheptan-4-amine

C13H29NS — CID 64615304

IUPACN-propyl-3-propylsulfanylheptan-4-amine
SMILESCCCNC(CCC)C(CC)SCCC
InChIInChI=1S/C13H29NS/c1-5-9-12(14-10-6-2)13(8-4)15-11-7-3/h12-14H,5-11H2,1-4H3
InChIKeyZPPNFUYPINNVAB-UHFFFAOYSA-N
MW231.45 g/mol
LogP4.08
Rot. Bonds10

About N-propyl-3-propylsulfanylheptan-4-amine

N-propyl-3-propylsulfanylheptan-4-amine (PubChem CID 64615304) has the molecular formula C13H29NS and a molecular weight of 231.45 g/mol. Its IUPAC name is N-propyl-3-propylsulfanylheptan-4-amine.

Molecular Properties

Compound NameN-propyl-3-propylsulfanylheptan-4-amine
PubChem CID64615304
Molecular FormulaC13H29NS
Molecular Weight231.45 g/mol
Exact Mass231.20
IUPAC NameN-propyl-3-propylsulfanylheptan-4-amine
SMILESCCCNC(CCC)C(CC)SCCC
InChIInChI=1S/C13H29NS/c1-5-9-12(14-10-6-2)13(8-4)15-11-7-3/h12-14H,5-11H2,1-4H3
InChIKeyZPPNFUYPINNVAB-UHFFFAOYSA-N
XLogP4.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.45
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(furan-2-ylmethylsulfanyl)-N-propylheptan-4-amine
CID 64609276
N-propyl-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylheptan-4-amine
CID 65041152
3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propylheptan-4-amine
CID 64632499
3-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylheptan-4-amine
CID 64626634
3-heptoxy-N-propylheptan-4-amine
CID 63474937
3-(2-nitrophenyl)sulfanyl-N-propylheptan-4-amine
CID 64612360
N,4-dipropyldodecan-5-amine
CID 115832095
4-methyl-N-propyldecan-5-amine
CID 115837654
3-(2-cyclobutylethoxy)-N-propylheptan-4-amine
CID 106201007
1-N,1-N'-dipropylbutane-1,1-diamine
CID 154626428
4-butan-2-ylsulfanyl-N-propylbutan-2-amine
CID 64614458
3-methyl-N-propylhexadecan-4-amine
CID 63717053

Frequently Asked Questions

What is the IUPAC name of N-propyl-3-propylsulfanylheptan-4-amine?
The IUPAC name of N-propyl-3-propylsulfanylheptan-4-amine (CID 64615304) is N-propyl-3-propylsulfanylheptan-4-amine.
What is the SMILES notation for N-propyl-3-propylsulfanylheptan-4-amine?
The canonical SMILES for N-propyl-3-propylsulfanylheptan-4-amine is CCCNC(CCC)C(CC)SCCC.
What is the InChIKey of N-propyl-3-propylsulfanylheptan-4-amine?
The InChIKey is ZPPNFUYPINNVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NS/c1-5-9-12(14-10-6-2)13(8-4)15-11-7-3/h12-14H,5-11H2,1-4H3.
What are the key properties of N-propyl-3-propylsulfanylheptan-4-amine?
N-propyl-3-propylsulfanylheptan-4-amine has a molecular weight of 231.45 g/mol, XLogP of 4.08, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-3-propylsulfanylheptan-4-amine is sourced from PubChem (CID 64615304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).