3-(aminomethyl)-N-(2-methoxyethyl)-5-methyl-N-propan-2-ylhexanamide

C14H30N2O2 — CID 82948214

IUPAC3-(aminomethyl)-N-(2-methoxyethyl)-5-methyl-N-propan-2-ylhexanamide
SMILESCOCCN(C(=O)CC(CN)CC(C)C)C(C)C
InChIInChI=1S/C14H30N2O2/c1-11(2)8-13(10-15)9-14(17)16(12(3)4)6-7-18-5/h11-13H,6-10,15H2,1-5H3
InChIKeyHKVHZUKIKQFLOA-UHFFFAOYSA-N
MW258.41 g/mol
LogP1.88
Rot. Bonds9

About 3-(aminomethyl)-N-(2-methoxyethyl)-5-methyl-N-propan-2-ylhexanamide

3-(aminomethyl)-N-(2-methoxyethyl)-5-methyl-N-propan-2-ylhexanamide (PubChem CID 82948214) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(2-methoxyethyl)-5-methyl-N-propan-2-ylhexanamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(2-methoxyethyl)-5-methyl-N-propan-2-ylhexanamide
PubChem CID82948214
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC Name3-(aminomethyl)-N-(2-methoxyethyl)-5-methyl-N-propan-2-ylhexanamide
SMILESCOCCN(C(=O)CC(CN)CC(C)C)C(C)C
InChIInChI=1S/C14H30N2O2/c1-11(2)8-13(10-15)9-14(17)16(12(3)4)6-7-18-5/h11-13H,6-10,15H2,1-5H3
InChIKeyHKVHZUKIKQFLOA-UHFFFAOYSA-N
XLogP1.88
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(2-methoxyethyl)-3-methyl-N-propan-2-ylbutanamide
CID 82948012
2-(2-methoxyethoxy)ethyl 3-(aminomethyl)-5-methylhexanoate
CID 104563584
3-(aminomethyl)-N,N-diethyl-5-methylhexanamide
CID 25143769
N-(2-methoxyethyl)-3-oxo-N-propan-2-ylbutanamide
CID 82948688
3-amino-N-(2-methoxyethyl)-3-phenyl-N-propan-2-ylpropanamide
CID 82949172
ethane;methyl 3-(aminomethyl)-5-methylhexanoate
CID 168947065
2-(dimethylcarbamoyloxy)ethyl (3S)-3-(aminomethyl)-5-methylhexanoate;hydrochloride
CID 122155477
N-(2-methoxyethyl)-N-propan-2-ylcarbamoyl chloride
CID 82966552
3-(aminomethyl)-5-methylhexanoic acid
CID 4715169
2-(aminomethyl)-N-(2-methoxyethyl)-4,4-dimethyl-N-propan-2-ylpentanamide
CID 107472614
(2R)-2-amino-N-(2-methoxyethyl)-3-methyl-N-propan-2-ylbutanamide
CID 82948774
(2S)-2-amino-N-(2-methoxyethyl)-3-methyl-N-propan-2-ylbutanamide
CID 82948115

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(2-methoxyethyl)-5-methyl-N-propan-2-ylhexanamide?
The IUPAC name of 3-(aminomethyl)-N-(2-methoxyethyl)-5-methyl-N-propan-2-ylhexanamide (CID 82948214) is 3-(aminomethyl)-N-(2-methoxyethyl)-5-methyl-N-propan-2-ylhexanamide.
What is the SMILES notation for 3-(aminomethyl)-N-(2-methoxyethyl)-5-methyl-N-propan-2-ylhexanamide?
The canonical SMILES for 3-(aminomethyl)-N-(2-methoxyethyl)-5-methyl-N-propan-2-ylhexanamide is COCCN(C(=O)CC(CN)CC(C)C)C(C)C.
What is the InChIKey of 3-(aminomethyl)-N-(2-methoxyethyl)-5-methyl-N-propan-2-ylhexanamide?
The InChIKey is HKVHZUKIKQFLOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2/c1-11(2)8-13(10-15)9-14(17)16(12(3)4)6-7-18-5/h11-13H,6-10,15H2,1-5H3.
What are the key properties of 3-(aminomethyl)-N-(2-methoxyethyl)-5-methyl-N-propan-2-ylhexanamide?
3-(aminomethyl)-N-(2-methoxyethyl)-5-methyl-N-propan-2-ylhexanamide has a molecular weight of 258.41 g/mol, XLogP of 1.88, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(2-methoxyethyl)-5-methyl-N-propan-2-ylhexanamide is sourced from PubChem (CID 82948214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).