N-butylformamide;N'-methylethane-1,2-diamine

C8H21N3O — CID 142935984

IUPACN-butylformamide;N'-methylethane-1,2-diamine
SMILESCCCCNC=O.CNCCN
InChIInChI=1S/C5H11NO.C3H10N2/c1-2-3-4-6-5-7;1-5-3-2-4/h5H,2-4H2,1H3,(H,6,7);5H,2-4H2,1H3
InChIKeyGOLZEHCLRXLAIV-UHFFFAOYSA-N
MW175.28 g/mol
LogP-0.30
Rot. Bonds6

About N-butylformamide;N'-methylethane-1,2-diamine

N-butylformamide;N'-methylethane-1,2-diamine (PubChem CID 142935984) has the molecular formula C8H21N3O and a molecular weight of 175.28 g/mol. Its IUPAC name is N-butylformamide;N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-butylformamide;N'-methylethane-1,2-diamine
PubChem CID142935984
Molecular FormulaC8H21N3O
Molecular Weight175.28 g/mol
Exact Mass175.17
IUPAC NameN-butylformamide;N'-methylethane-1,2-diamine
SMILESCCCCNC=O.CNCCN
InChIInChI=1S/C5H11NO.C3H10N2/c1-2-3-4-6-5-7;1-5-3-2-4/h5H,2-4H2,1H3,(H,6,7);5H,2-4H2,1H3
InChIKeyGOLZEHCLRXLAIV-UHFFFAOYSA-N
XLogP-0.30
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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N-butylformamide;prop-1-yne
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4-(methylamino)butanal;N-methylbutan-1-amine
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N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]formamide
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2-aminoacetaldehyde;N-[5-(methylamino)pentyl]formamide;prop-1-ene
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N-methylbutan-1-amine
CID 8068
N'-docosylethane-1,2-diamine
CID 18783196
N'-henicosylethane-1,2-diamine
CID 22930907
N,N'-bis(3-aminopropyl)butane-1,4-diamine;butane-1,4-diamine;methane;N'-methylethane-1,2-diamine
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Frequently Asked Questions

What is the IUPAC name of N-butylformamide;N'-methylethane-1,2-diamine?
The IUPAC name of N-butylformamide;N'-methylethane-1,2-diamine (CID 142935984) is N-butylformamide;N'-methylethane-1,2-diamine.
What is the SMILES notation for N-butylformamide;N'-methylethane-1,2-diamine?
The canonical SMILES for N-butylformamide;N'-methylethane-1,2-diamine is CCCCNC=O.CNCCN.
What is the InChIKey of N-butylformamide;N'-methylethane-1,2-diamine?
The InChIKey is GOLZEHCLRXLAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO.C3H10N2/c1-2-3-4-6-5-7;1-5-3-2-4/h5H,2-4H2,1H3,(H,6,7);5H,2-4H2,1H3.
What are the key properties of N-butylformamide;N'-methylethane-1,2-diamine?
N-butylformamide;N'-methylethane-1,2-diamine has a molecular weight of 175.28 g/mol, XLogP of -0.30, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butylformamide;N'-methylethane-1,2-diamine is sourced from PubChem (CID 142935984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).