N-[4-[methyl(propan-2-yl)amino]butyl]formamide

C9H20N2O — CID 64991998

IUPACN-[4-[methyl(propan-2-yl)amino]butyl]formamide
SMILESCC(C)N(C)CCCCNC=O
InChIInChI=1S/C9H20N2O/c1-9(2)11(3)7-5-4-6-10-8-12/h8-9H,4-7H2,1-3H3,(H,10,12)
InChIKeySFJUVEPQTSALFM-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.85
Rot. Bonds7

About N-[4-[methyl(propan-2-yl)amino]butyl]formamide

N-[4-[methyl(propan-2-yl)amino]butyl]formamide (PubChem CID 64991998) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is N-[4-[methyl(propan-2-yl)amino]butyl]formamide.

Molecular Properties

Compound NameN-[4-[methyl(propan-2-yl)amino]butyl]formamide
PubChem CID64991998
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC NameN-[4-[methyl(propan-2-yl)amino]butyl]formamide
SMILESCC(C)N(C)CCCCNC=O
InChIInChI=1S/C9H20N2O/c1-9(2)11(3)7-5-4-6-10-8-12/h8-9H,4-7H2,1-3H3,(H,10,12)
InChIKeySFJUVEPQTSALFM-UHFFFAOYSA-N
XLogP0.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.85
H-Bond Donors ≤ 51
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,N'-dimethyl-N'-propan-2-ylbutane-1,4-diamine
CID 57031301
N,N'-dimethyl-N'-propan-2-ylpentane-1,5-diamine
CID 62423548
N-[4-[methyl(propan-2-yl)amino]butyl]methanesulfonamide
CID 60602606
4-[3-[methyl(propan-2-yl)amino]propylamino]butan-1-ol
CID 106045730
N-(2,3-dichloroprop-2-enyl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine
CID 79167644
1-chloro-N-[4-[methyl(propan-2-yl)amino]butyl]methanesulfonamide
CID 63664575
formic acid;N-methyl-N-propan-2-ylhexan-1-amine
CID 169177535
N-[4-[formyl(methoxy)amino]butyl]formamide
CID 87925198
2,2-dimethyl-N-[4-[methyl(propan-2-yl)amino]butyl]propanamide
CID 71936802
N-[2-[hydroxy(propan-2-yl)amino]ethyl]formamide
CID 18475247
N'-methyl-N'-propan-2-yl-N-(3-propan-2-yloxypropyl)propane-1,3-diamine
CID 176860876
N'-[3-[methyl(propan-2-yl)amino]propyl]-N-[3-(propan-2-ylamino)propyl]butane-1,4-diamine
CID 138492017

Frequently Asked Questions

What is the IUPAC name of N-[4-[methyl(propan-2-yl)amino]butyl]formamide?
The IUPAC name of N-[4-[methyl(propan-2-yl)amino]butyl]formamide (CID 64991998) is N-[4-[methyl(propan-2-yl)amino]butyl]formamide.
What is the SMILES notation for N-[4-[methyl(propan-2-yl)amino]butyl]formamide?
The canonical SMILES for N-[4-[methyl(propan-2-yl)amino]butyl]formamide is CC(C)N(C)CCCCNC=O.
What is the InChIKey of N-[4-[methyl(propan-2-yl)amino]butyl]formamide?
The InChIKey is SFJUVEPQTSALFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-9(2)11(3)7-5-4-6-10-8-12/h8-9H,4-7H2,1-3H3,(H,10,12).
What are the key properties of N-[4-[methyl(propan-2-yl)amino]butyl]formamide?
N-[4-[methyl(propan-2-yl)amino]butyl]formamide has a molecular weight of 172.27 g/mol, XLogP of 0.85, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[methyl(propan-2-yl)amino]butyl]formamide is sourced from PubChem (CID 64991998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).