N-[(2S)-4-(butylamino)butan-2-yl]formamide

C9H20N2O — CID 143293736

IUPACN-[(2S)-4-(butylamino)butan-2-yl]formamide
SMILESCCCCNCC[C@H](C)NC=O
InChIInChI=1S/C9H20N2O/c1-3-4-6-10-7-5-9(2)11-8-12/h8-10H,3-7H2,1-2H3,(H,11,12)/t9-/m0/s1
InChIKeyIQEDUSNEONVYLU-VIFPVBQESA-N
MW172.27 g/mol
LogP0.90
Rot. Bonds8

About N-[(2S)-4-(butylamino)butan-2-yl]formamide

N-[(2S)-4-(butylamino)butan-2-yl]formamide (PubChem CID 143293736) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is N-[(2S)-4-(butylamino)butan-2-yl]formamide.

Molecular Properties

Compound NameN-[(2S)-4-(butylamino)butan-2-yl]formamide
PubChem CID143293736
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC NameN-[(2S)-4-(butylamino)butan-2-yl]formamide
SMILESCCCCNCC[C@H](C)NC=O
InChIInChI=1S/C9H20N2O/c1-3-4-6-10-7-5-9(2)11-8-12/h8-10H,3-7H2,1-2H3,(H,11,12)/t9-/m0/s1
InChIKeyIQEDUSNEONVYLU-VIFPVBQESA-N
XLogP0.90
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

N-[(2R)-octan-2-yl]formamide
CID 5478865
N-(5-formamidohexyl)formamide
CID 154679922
N-butyl-3-chlorobutan-1-amine
CID 65025010
N-[(2S)-butan-2-yl]formamide
CID 55285287
N-butylbutan-1-amine;hydrochloride
CID 3083954
N-(3-methylbutyl)heptan-1-amine
CID 22348867
3-N-ethyl-1-N-[4-[3-(ethylamino)butylamino]butyl]butane-1,3-diamine;vanadium
CID 161302132
3-N-ethyl-1-N-[4-[3-(ethylamino)butylamino]butyl]butane-1,3-diamine;tetrahydrochloride
CID 10181201
N-butyl-3-dihydroxysilylbutan-1-amine
CID 173136150
N-[5-(dimethylamino)pentan-2-yl]formamide
CID 141096564
N-(4-formamidopentan-2-yl)formamide
CID 174912100
potassium;N-butylbutan-1-amine;hydride
CID 174461538

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4-(butylamino)butan-2-yl]formamide?
The IUPAC name of N-[(2S)-4-(butylamino)butan-2-yl]formamide (CID 143293736) is N-[(2S)-4-(butylamino)butan-2-yl]formamide.
What is the SMILES notation for N-[(2S)-4-(butylamino)butan-2-yl]formamide?
The canonical SMILES for N-[(2S)-4-(butylamino)butan-2-yl]formamide is CCCCNCC[C@H](C)NC=O.
What is the InChIKey of N-[(2S)-4-(butylamino)butan-2-yl]formamide?
The InChIKey is IQEDUSNEONVYLU-VIFPVBQESA-N. The full InChI is InChI=1S/C9H20N2O/c1-3-4-6-10-7-5-9(2)11-8-12/h8-10H,3-7H2,1-2H3,(H,11,12)/t9-/m0/s1.
What are the key properties of N-[(2S)-4-(butylamino)butan-2-yl]formamide?
N-[(2S)-4-(butylamino)butan-2-yl]formamide has a molecular weight of 172.27 g/mol, XLogP of 0.90, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-4-(butylamino)butan-2-yl]formamide is sourced from PubChem (CID 143293736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).