N,4-dimethyl-7-[(1-methylcyclopropyl)methyl]-9-methylsulfanylnon-1-en-5-amine

C17H33NS — CID 130414520

IUPACN,4-dimethyl-7-[(1-methylcyclopropyl)methyl]-9-methylsulfanylnon-1-en-5-amine
SMILESC=CCC(C)C(CC(CCSC)CC1(C)CC1)NC
InChIInChI=1S/C17H33NS/c1-6-7-14(2)16(18-4)12-15(8-11-19-5)13-17(3)9-10-17/h6,14-16,18H,1,7-13H2,2-5H3
InChIKeySPQBNTZKUDJHTM-UHFFFAOYSA-N
MW283.52 g/mol
LogP4.74
Rot. Bonds11

About N,4-dimethyl-7-[(1-methylcyclopropyl)methyl]-9-methylsulfanylnon-1-en-5-amine

N,4-dimethyl-7-[(1-methylcyclopropyl)methyl]-9-methylsulfanylnon-1-en-5-amine (PubChem CID 130414520) has the molecular formula C17H33NS and a molecular weight of 283.52 g/mol. Its IUPAC name is N,4-dimethyl-7-[(1-methylcyclopropyl)methyl]-9-methylsulfanylnon-1-en-5-amine.

Molecular Properties

Compound NameN,4-dimethyl-7-[(1-methylcyclopropyl)methyl]-9-methylsulfanylnon-1-en-5-amine
PubChem CID130414520
Molecular FormulaC17H33NS
Molecular Weight283.52 g/mol
Exact Mass283.23
IUPAC NameN,4-dimethyl-7-[(1-methylcyclopropyl)methyl]-9-methylsulfanylnon-1-en-5-amine
SMILESC=CCC(C)C(CC(CCSC)CC1(C)CC1)NC
InChIInChI=1S/C17H33NS/c1-6-7-14(2)16(18-4)12-15(8-11-19-5)13-17(3)9-10-17/h6,14-16,18H,1,7-13H2,2-5H3
InChIKeySPQBNTZKUDJHTM-UHFFFAOYSA-N
XLogP4.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.52
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-7-[(1-methylcyclopropyl)methyl]-9-methylsulfanylnon-1-en-5-amine?
The IUPAC name of N,4-dimethyl-7-[(1-methylcyclopropyl)methyl]-9-methylsulfanylnon-1-en-5-amine (CID 130414520) is N,4-dimethyl-7-[(1-methylcyclopropyl)methyl]-9-methylsulfanylnon-1-en-5-amine.
What is the SMILES notation for N,4-dimethyl-7-[(1-methylcyclopropyl)methyl]-9-methylsulfanylnon-1-en-5-amine?
The canonical SMILES for N,4-dimethyl-7-[(1-methylcyclopropyl)methyl]-9-methylsulfanylnon-1-en-5-amine is C=CCC(C)C(CC(CCSC)CC1(C)CC1)NC.
What is the InChIKey of N,4-dimethyl-7-[(1-methylcyclopropyl)methyl]-9-methylsulfanylnon-1-en-5-amine?
The InChIKey is SPQBNTZKUDJHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NS/c1-6-7-14(2)16(18-4)12-15(8-11-19-5)13-17(3)9-10-17/h6,14-16,18H,1,7-13H2,2-5H3.
What are the key properties of N,4-dimethyl-7-[(1-methylcyclopropyl)methyl]-9-methylsulfanylnon-1-en-5-amine?
N,4-dimethyl-7-[(1-methylcyclopropyl)methyl]-9-methylsulfanylnon-1-en-5-amine has a molecular weight of 283.52 g/mol, XLogP of 4.74, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-7-[(1-methylcyclopropyl)methyl]-9-methylsulfanylnon-1-en-5-amine is sourced from PubChem (CID 130414520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).