4-(3-aminopropylsulfanyl)cyclohexan-1-amine

C9H20N2S — CID 66219977

IUPAC4-(3-aminopropylsulfanyl)cyclohexan-1-amine
SMILESNCCCSC1CCC(N)CC1
InChIInChI=1S/C9H20N2S/c10-6-1-7-12-9-4-2-8(11)3-5-9/h8-9H,1-7,10-11H2
InChIKeyNFZBPKKEMMNZJQ-UHFFFAOYSA-N
MW188.34 g/mol
LogP1.34
Rot. Bonds4

About 4-(3-aminopropylsulfanyl)cyclohexan-1-amine

4-(3-aminopropylsulfanyl)cyclohexan-1-amine (PubChem CID 66219977) has the molecular formula C9H20N2S and a molecular weight of 188.34 g/mol. Its IUPAC name is 4-(3-aminopropylsulfanyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-(3-aminopropylsulfanyl)cyclohexan-1-amine
PubChem CID66219977
Molecular FormulaC9H20N2S
Molecular Weight188.34 g/mol
Exact Mass188.13
IUPAC Name4-(3-aminopropylsulfanyl)cyclohexan-1-amine
SMILESNCCCSC1CCC(N)CC1
InChIInChI=1S/C9H20N2S/c10-6-1-7-12-9-4-2-8(11)3-5-9/h8-9H,1-7,10-11H2
InChIKeyNFZBPKKEMMNZJQ-UHFFFAOYSA-N
XLogP1.34
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopropylsulfanyl)cyclohexan-1-amine?
The IUPAC name of 4-(3-aminopropylsulfanyl)cyclohexan-1-amine (CID 66219977) is 4-(3-aminopropylsulfanyl)cyclohexan-1-amine.
What is the SMILES notation for 4-(3-aminopropylsulfanyl)cyclohexan-1-amine?
The canonical SMILES for 4-(3-aminopropylsulfanyl)cyclohexan-1-amine is NCCCSC1CCC(N)CC1.
What is the InChIKey of 4-(3-aminopropylsulfanyl)cyclohexan-1-amine?
The InChIKey is NFZBPKKEMMNZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2S/c10-6-1-7-12-9-4-2-8(11)3-5-9/h8-9H,1-7,10-11H2.
What are the key properties of 4-(3-aminopropylsulfanyl)cyclohexan-1-amine?
4-(3-aminopropylsulfanyl)cyclohexan-1-amine has a molecular weight of 188.34 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopropylsulfanyl)cyclohexan-1-amine is sourced from PubChem (CID 66219977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).