2-N-(1-cyclopropylethyl)-4-ethylsulfanyl-2-N-(2-methoxyethyl)butane-1,2-diamine

C14H30N2OS — CID 116504058

IUPAC2-N-(1-cyclopropylethyl)-4-ethylsulfanyl-2-N-(2-methoxyethyl)butane-1,2-diamine
SMILESCCSCCC(CN)N(CCOC)C(C)C1CC1
InChIInChI=1S/C14H30N2OS/c1-4-18-10-7-14(11-15)16(8-9-17-3)12(2)13-5-6-13/h12-14H,4-11,15H2,1-3H3
InChIKeyRTKJXJPNOJMKMD-UHFFFAOYSA-N
MW274.47 g/mol
LogP2.20
Rot. Bonds11

About 2-N-(1-cyclopropylethyl)-4-ethylsulfanyl-2-N-(2-methoxyethyl)butane-1,2-diamine

2-N-(1-cyclopropylethyl)-4-ethylsulfanyl-2-N-(2-methoxyethyl)butane-1,2-diamine (PubChem CID 116504058) has the molecular formula C14H30N2OS and a molecular weight of 274.47 g/mol. Its IUPAC name is 2-N-(1-cyclopropylethyl)-4-ethylsulfanyl-2-N-(2-methoxyethyl)butane-1,2-diamine.

Molecular Properties

Compound Name2-N-(1-cyclopropylethyl)-4-ethylsulfanyl-2-N-(2-methoxyethyl)butane-1,2-diamine
PubChem CID116504058
Molecular FormulaC14H30N2OS
Molecular Weight274.47 g/mol
Exact Mass274.21
IUPAC Name2-N-(1-cyclopropylethyl)-4-ethylsulfanyl-2-N-(2-methoxyethyl)butane-1,2-diamine
SMILESCCSCCC(CN)N(CCOC)C(C)C1CC1
InChIInChI=1S/C14H30N2OS/c1-4-18-10-7-14(11-15)16(8-9-17-3)12(2)13-5-6-13/h12-14H,4-11,15H2,1-3H3
InChIKeyRTKJXJPNOJMKMD-UHFFFAOYSA-N
XLogP2.20
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.47
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-N-(1-cyclopropylethyl)-2-N-(2-methoxyethyl)-4-methylsulfanylbutane-1,2-diamine
CID 55004208
4-amino-3-[1-cyclopropylethyl(2-methoxyethyl)amino]butanamide
CID 66429028
4-N-(1-cyclopropylethyl)-4-N-(2-methoxyethyl)pentane-1,4-diamine
CID 62462719
2-N-(1-cyclopropylethyl)-2-N-(2-methoxyethyl)-1-N-methylpentane-1,2-diamine
CID 83054207
4-ethylsulfanyl-2-N-propan-2-yl-2-N-propylbutane-1,2-diamine
CID 116503968
3-amino-2-[1-cyclopropylethyl(2-methoxyethyl)amino]propanoic acid
CID 64694814
N'-(1-cyclopropylethyl)-N'-(2-methoxyethyl)-2-methylbutane-1,4-diamine
CID 81079207
2-N-cyclopropyl-2-N-(2-methoxyethyl)-4-methylsulfanylbutane-1,2-diamine
CID 61453540
2-[1-cyclopropylethyl(2-methoxyethyl)amino]-3-methylbutanehydrazide
CID 63583142
2-N-(2-ethoxyethyl)-2-N-ethyl-4-ethylsulfanylbutane-1,2-diamine
CID 116504124
N'-(1-cyclopropylethyl)-N'-(2-methoxyethyl)-2-methylpentane-1,5-diamine
CID 82016982
4-ethylsulfanyl-2-N,2-N-dipropylbutane-1,2-diamine
CID 116503935

Frequently Asked Questions

What is the IUPAC name of 2-N-(1-cyclopropylethyl)-4-ethylsulfanyl-2-N-(2-methoxyethyl)butane-1,2-diamine?
The IUPAC name of 2-N-(1-cyclopropylethyl)-4-ethylsulfanyl-2-N-(2-methoxyethyl)butane-1,2-diamine (CID 116504058) is 2-N-(1-cyclopropylethyl)-4-ethylsulfanyl-2-N-(2-methoxyethyl)butane-1,2-diamine.
What is the SMILES notation for 2-N-(1-cyclopropylethyl)-4-ethylsulfanyl-2-N-(2-methoxyethyl)butane-1,2-diamine?
The canonical SMILES for 2-N-(1-cyclopropylethyl)-4-ethylsulfanyl-2-N-(2-methoxyethyl)butane-1,2-diamine is CCSCCC(CN)N(CCOC)C(C)C1CC1.
What is the InChIKey of 2-N-(1-cyclopropylethyl)-4-ethylsulfanyl-2-N-(2-methoxyethyl)butane-1,2-diamine?
The InChIKey is RTKJXJPNOJMKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2OS/c1-4-18-10-7-14(11-15)16(8-9-17-3)12(2)13-5-6-13/h12-14H,4-11,15H2,1-3H3.
What are the key properties of 2-N-(1-cyclopropylethyl)-4-ethylsulfanyl-2-N-(2-methoxyethyl)butane-1,2-diamine?
2-N-(1-cyclopropylethyl)-4-ethylsulfanyl-2-N-(2-methoxyethyl)butane-1,2-diamine has a molecular weight of 274.47 g/mol, XLogP of 2.20, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-cyclopropylethyl)-4-ethylsulfanyl-2-N-(2-methoxyethyl)butane-1,2-diamine is sourced from PubChem (CID 116504058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).