N-(aminomethyl)-3-methyl-N-(2-methylpropyl)butanamide

C10H22N2O — CID 144977230

IUPACN-(aminomethyl)-3-methyl-N-(2-methylpropyl)butanamide
SMILESCC(C)CC(=O)N(CN)CC(C)C
InChIInChI=1S/C10H22N2O/c1-8(2)5-10(13)12(7-11)6-9(3)4/h8-9H,5-7,11H2,1-4H3
InChIKeyJHDWVRDDBOHXCQ-UHFFFAOYSA-N
MW186.30 g/mol
LogP1.43
Rot. Bonds5

About N-(aminomethyl)-3-methyl-N-(2-methylpropyl)butanamide

N-(aminomethyl)-3-methyl-N-(2-methylpropyl)butanamide (PubChem CID 144977230) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is N-(aminomethyl)-3-methyl-N-(2-methylpropyl)butanamide.

Molecular Properties

Compound NameN-(aminomethyl)-3-methyl-N-(2-methylpropyl)butanamide
PubChem CID144977230
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC NameN-(aminomethyl)-3-methyl-N-(2-methylpropyl)butanamide
SMILESCC(C)CC(=O)N(CN)CC(C)C
InChIInChI=1S/C10H22N2O/c1-8(2)5-10(13)12(7-11)6-9(3)4/h8-9H,5-7,11H2,1-4H3
InChIKeyJHDWVRDDBOHXCQ-UHFFFAOYSA-N
XLogP1.43
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[3-methylbutanoyl(2-methylpropyl)amino]acetic acid
CID 62033717
3-amino-N,N-bis(2-methylpropyl)propanamide;hydrochloride
CID 119261436
2-[[2-[[2-[[2-[acetyl(aminomethyl)amino]acetyl]-(2-methylpropyl)amino]acetyl]-(aminomethyl)amino]acetyl]-(aminomethyl)amino]acetic acid
CID 118650049
2-amino-N-(2-hydroxypropyl)-N-(2-methylpropyl)acetamide
CID 170614362
N,N,N',N'-tetrakis(2-methylpropyl)oxamide
CID 4523531
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-3-methylbutanamide
CID 79668143
2-amino-N,N-bis(2-methylpropyl)propanamide
CID 43588746
4-amino-N,N-diethyl-3-[2-methylpropyl(propan-2-yl)amino]butanamide
CID 66431686
3-[3-methylbutanoyl(3-methylbutyl)amino]propanoic acid
CID 82324105
2-[2-methylpropyl-(2-methylsulfanylacetyl)amino]acetic acid
CID 62032636
sulfanyl N,N-bis(2-methylpropyl)carbamate
CID 174893639
N-ethyl-N-(2-methylpropyl)propanamide
CID 54345595

Frequently Asked Questions

What is the IUPAC name of N-(aminomethyl)-3-methyl-N-(2-methylpropyl)butanamide?
The IUPAC name of N-(aminomethyl)-3-methyl-N-(2-methylpropyl)butanamide (CID 144977230) is N-(aminomethyl)-3-methyl-N-(2-methylpropyl)butanamide.
What is the SMILES notation for N-(aminomethyl)-3-methyl-N-(2-methylpropyl)butanamide?
The canonical SMILES for N-(aminomethyl)-3-methyl-N-(2-methylpropyl)butanamide is CC(C)CC(=O)N(CN)CC(C)C.
What is the InChIKey of N-(aminomethyl)-3-methyl-N-(2-methylpropyl)butanamide?
The InChIKey is JHDWVRDDBOHXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-8(2)5-10(13)12(7-11)6-9(3)4/h8-9H,5-7,11H2,1-4H3.
What are the key properties of N-(aminomethyl)-3-methyl-N-(2-methylpropyl)butanamide?
N-(aminomethyl)-3-methyl-N-(2-methylpropyl)butanamide has a molecular weight of 186.30 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(aminomethyl)-3-methyl-N-(2-methylpropyl)butanamide is sourced from PubChem (CID 144977230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).