propyl 2-(aminomethyl)hexanoate

C10H21NO2 — CID 175966653

IUPACpropyl 2-(aminomethyl)hexanoate
SMILESCCCCC(CN)C(=O)OCCC
InChIInChI=1S/C10H21NO2/c1-3-5-6-9(8-11)10(12)13-7-4-2/h9H,3-8,11H2,1-2H3
InChIKeyONVMRNWLNYGRLW-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.70
Rot. Bonds7

About propyl 2-(aminomethyl)hexanoate

propyl 2-(aminomethyl)hexanoate (PubChem CID 175966653) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is propyl 2-(aminomethyl)hexanoate.

Molecular Properties

Compound Namepropyl 2-(aminomethyl)hexanoate
PubChem CID175966653
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Namepropyl 2-(aminomethyl)hexanoate
SMILESCCCCC(CN)C(=O)OCCC
InChIInChI=1S/C10H21NO2/c1-3-5-6-9(8-11)10(12)13-7-4-2/h9H,3-8,11H2,1-2H3
InChIKeyONVMRNWLNYGRLW-UHFFFAOYSA-N
XLogP1.70
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

undecyl 2-(aminomethyl)hexanoate
CID 21259295
butyl 2-butylhexanoate;stannane
CID 172996715
propyl 2-propyldecanoate
CID 138561183
3-[(2S)-2-ethylhexanoyl]oxypropyl (2R)-2-ethylhexanoate
CID 125473302
tetradecyl 2-butylhexanoate
CID 91318887
butyl 2-butyldocosanoate
CID 175080024
octyl 2-butyldocosanoate
CID 174740469
butyl 2-ethylhexanoate;λ2-stannane
CID 174507842
dipropyl 2-heptylbutanedioate
CID 174805118
propyl 2-methylhexanoate
CID 15464658
2-[2-[(2R)-2-ethylhexanoyl]oxyethoxy]ethyl (2S)-2-ethylhexanoate
CID 92855750
2-hydroxyethyl 2-ethylhexanoate
CID 10397600

Frequently Asked Questions

What is the IUPAC name of propyl 2-(aminomethyl)hexanoate?
The IUPAC name of propyl 2-(aminomethyl)hexanoate (CID 175966653) is propyl 2-(aminomethyl)hexanoate.
What is the SMILES notation for propyl 2-(aminomethyl)hexanoate?
The canonical SMILES for propyl 2-(aminomethyl)hexanoate is CCCCC(CN)C(=O)OCCC.
What is the InChIKey of propyl 2-(aminomethyl)hexanoate?
The InChIKey is ONVMRNWLNYGRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-3-5-6-9(8-11)10(12)13-7-4-2/h9H,3-8,11H2,1-2H3.
What are the key properties of propyl 2-(aminomethyl)hexanoate?
propyl 2-(aminomethyl)hexanoate has a molecular weight of 187.28 g/mol, XLogP of 1.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-(aminomethyl)hexanoate is sourced from PubChem (CID 175966653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).