4-(aminomethyl)-N,N-dimethylheptanamide

C10H22N2O — CID 112515140

IUPAC4-(aminomethyl)-N,N-dimethylheptanamide
SMILESCCCC(CN)CCC(=O)N(C)C
InChIInChI=1S/C10H22N2O/c1-4-5-9(8-11)6-7-10(13)12(2)3/h9H,4-8,11H2,1-3H3
InChIKeyVLWXKPFSLQDCNM-UHFFFAOYSA-N
MW186.30 g/mol
LogP1.23
Rot. Bonds6

About 4-(aminomethyl)-N,N-dimethylheptanamide

4-(aminomethyl)-N,N-dimethylheptanamide (PubChem CID 112515140) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 4-(aminomethyl)-N,N-dimethylheptanamide.

Molecular Properties

Compound Name4-(aminomethyl)-N,N-dimethylheptanamide
PubChem CID112515140
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name4-(aminomethyl)-N,N-dimethylheptanamide
SMILESCCCC(CN)CCC(=O)N(C)C
InChIInChI=1S/C10H22N2O/c1-4-5-9(8-11)6-7-10(13)12(2)3/h9H,4-8,11H2,1-3H3
InChIKeyVLWXKPFSLQDCNM-UHFFFAOYSA-N
XLogP1.23
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N,N-dimethylheptanamide?
The IUPAC name of 4-(aminomethyl)-N,N-dimethylheptanamide (CID 112515140) is 4-(aminomethyl)-N,N-dimethylheptanamide.
What is the SMILES notation for 4-(aminomethyl)-N,N-dimethylheptanamide?
The canonical SMILES for 4-(aminomethyl)-N,N-dimethylheptanamide is CCCC(CN)CCC(=O)N(C)C.
What is the InChIKey of 4-(aminomethyl)-N,N-dimethylheptanamide?
The InChIKey is VLWXKPFSLQDCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-4-5-9(8-11)6-7-10(13)12(2)3/h9H,4-8,11H2,1-3H3.
What are the key properties of 4-(aminomethyl)-N,N-dimethylheptanamide?
4-(aminomethyl)-N,N-dimethylheptanamide has a molecular weight of 186.30 g/mol, XLogP of 1.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N,N-dimethylheptanamide is sourced from PubChem (CID 112515140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).