N-[(3,3-dimethylbutylamino)methyl]formamide

C8H18N2O — CID 167581609

IUPACN-[(3,3-dimethylbutylamino)methyl]formamide
SMILESCC(C)(C)CCNCNC=O
InChIInChI=1S/C8H18N2O/c1-8(2,3)4-5-9-6-10-7-11/h7,9H,4-6H2,1-3H3,(H,10,11)
InChIKeyLEAMDSYUIAGIHG-UHFFFAOYSA-N
MW158.25 g/mol
LogP0.72
Rot. Bonds5

About N-[(3,3-dimethylbutylamino)methyl]formamide

N-[(3,3-dimethylbutylamino)methyl]formamide (PubChem CID 167581609) has the molecular formula C8H18N2O and a molecular weight of 158.25 g/mol. Its IUPAC name is N-[(3,3-dimethylbutylamino)methyl]formamide.

Molecular Properties

Compound NameN-[(3,3-dimethylbutylamino)methyl]formamide
PubChem CID167581609
Molecular FormulaC8H18N2O
Molecular Weight158.25 g/mol
Exact Mass158.14
IUPAC NameN-[(3,3-dimethylbutylamino)methyl]formamide
SMILESCC(C)(C)CCNCNC=O
InChIInChI=1S/C8H18N2O/c1-8(2,3)4-5-9-6-10-7-11/h7,9H,4-6H2,1-3H3,(H,10,11)
InChIKeyLEAMDSYUIAGIHG-UHFFFAOYSA-N
XLogP0.72
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 50.72
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'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(6,6-dimethylheptyl)formamide
CID 166796466
N-(methylaminomethyl)formamide
CID 20608441
N-(3,3-dimethylpentyl)formamide
CID 143115994
4-(3,3-dimethylbutylamino)butan-2-one
CID 115235867
N'-tert-butyl-N-(3,3-dimethylbutyl)ethane-1,2-diamine
CID 88899076
N-(3,3-dimethylbutyl)-3,3-dimethylpentan-1-amine
CID 170291391
N-(3-iodopropyl)-3,3-dimethylbutan-1-amine
CID 114503605
2,2-dimethylpropane;ethane;N-ethylformamide
CID 142479182
2-(3,3-dimethylbutylamino)ethylurea
CID 83109796
N-(3,3-dimethylbutyl)-2,2-dimethylbutane-1,4-diamine
CID 115204534
3-(3,3-dimethylbutylamino)-N,2,2-trimethylpropanamide
CID 102672659
N-[(3S)-3-amino-5,5-dimethylhexyl]formamide
CID 140963974

Frequently Asked Questions

What is the IUPAC name of N-[(3,3-dimethylbutylamino)methyl]formamide?
The IUPAC name of N-[(3,3-dimethylbutylamino)methyl]formamide (CID 167581609) is N-[(3,3-dimethylbutylamino)methyl]formamide.
What is the SMILES notation for N-[(3,3-dimethylbutylamino)methyl]formamide?
The canonical SMILES for N-[(3,3-dimethylbutylamino)methyl]formamide is CC(C)(C)CCNCNC=O.
What is the InChIKey of N-[(3,3-dimethylbutylamino)methyl]formamide?
The InChIKey is LEAMDSYUIAGIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-8(2,3)4-5-9-6-10-7-11/h7,9H,4-6H2,1-3H3,(H,10,11).
What are the key properties of N-[(3,3-dimethylbutylamino)methyl]formamide?
N-[(3,3-dimethylbutylamino)methyl]formamide has a molecular weight of 158.25 g/mol, XLogP of 0.72, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,3-dimethylbutylamino)methyl]formamide is sourced from PubChem (CID 167581609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).