N,N-dimethyl-3-pent-4-enylsulfanylpropan-1-amine

C10H21NS — CID 10330096

IUPACN,N-dimethyl-3-pent-4-enylsulfanylpropan-1-amine
SMILESC=CCCCSCCCN(C)C
InChIInChI=1S/C10H21NS/c1-4-5-6-9-12-10-7-8-11(2)3/h4H,1,5-10H2,2-3H3
InChIKeyRHXIZUCPVNXANC-UHFFFAOYSA-N
MW187.35 g/mol
LogP2.64
Rot. Bonds8

About N,N-dimethyl-3-pent-4-enylsulfanylpropan-1-amine

N,N-dimethyl-3-pent-4-enylsulfanylpropan-1-amine (PubChem CID 10330096) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is N,N-dimethyl-3-pent-4-enylsulfanylpropan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-pent-4-enylsulfanylpropan-1-amine
PubChem CID10330096
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC NameN,N-dimethyl-3-pent-4-enylsulfanylpropan-1-amine
SMILESC=CCCCSCCCN(C)C
InChIInChI=1S/C10H21NS/c1-4-5-6-9-12-10-7-8-11(2)3/h4H,1,5-10H2,2-3H3
InChIKeyRHXIZUCPVNXANC-UHFFFAOYSA-N
XLogP2.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-2,3-dihydrothiophen-2-amine
CID 18974873
N-prop-2-enyl-N-(2-propylsulfanylethyl)prop-2-en-1-amine
CID 54074839
N-ethyl-N-[(2-methyl-3H-thiophen-2-yl)methyl]ethanamine
CID 57000948
N,N-dimethyl-1-(2-methyl-3H-thiophen-2-yl)methanamine
CID 57002242
N,N-diethyl-2-methyl-3H-thiophen-2-amine
CID 57277605
4-[4-(dimethylamino)but-1-enylsulfanyl]-N,N-dimethylbut-3-en-1-amine
CID 57311689
(7Z)-2,3,4-trimethyl-2,3,5,6-tetrahydro-1,4-thiazocine
CID 68315571
2,3,4-Trimethyl-2,3,5,6-tetrahydro-1,4-thiazocine
CID 77476549
N,N-dimethyl-5-methylsulfanylpent-1-en-3-amine
CID 88543479
N-ethyl-N-methyl-5-methylsulfanylpent-1-en-3-amine
CID 88870045
5-methylsulfanyl-N,N-dipropylpent-1-en-3-amine
CID 88885670
(Z)-N-ethyl-3-ethylsulfanyl-N-methylpent-3-en-1-amine
CID 118617237

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-pent-4-enylsulfanylpropan-1-amine?
The IUPAC name of N,N-dimethyl-3-pent-4-enylsulfanylpropan-1-amine (CID 10330096) is N,N-dimethyl-3-pent-4-enylsulfanylpropan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-pent-4-enylsulfanylpropan-1-amine?
The canonical SMILES for N,N-dimethyl-3-pent-4-enylsulfanylpropan-1-amine is C=CCCCSCCCN(C)C.
What is the InChIKey of N,N-dimethyl-3-pent-4-enylsulfanylpropan-1-amine?
The InChIKey is RHXIZUCPVNXANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS/c1-4-5-6-9-12-10-7-8-11(2)3/h4H,1,5-10H2,2-3H3.
What are the key properties of N,N-dimethyl-3-pent-4-enylsulfanylpropan-1-amine?
N,N-dimethyl-3-pent-4-enylsulfanylpropan-1-amine has a molecular weight of 187.35 g/mol, XLogP of 2.64, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-pent-4-enylsulfanylpropan-1-amine is sourced from PubChem (CID 10330096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).