2-[3-methylpentyl(propyl)amino]ethyl 2-amino-3-methylbutanoate

C16H34N2O2 — CID 123845867

IUPAC2-[3-methylpentyl(propyl)amino]ethyl 2-amino-3-methylbutanoate
SMILESCCCN(CCOC(=O)C(N)C(C)C)CCC(C)CC
InChIInChI=1S/C16H34N2O2/c1-6-9-18(10-8-14(5)7-2)11-12-20-16(19)15(17)13(3)4/h13-15H,6-12,17H2,1-5H3
InChIKeyIDZOJHGVRCKHJX-UHFFFAOYSA-N
MW286.46 g/mol
LogP2.66
Rot. Bonds11

About 2-[3-methylpentyl(propyl)amino]ethyl 2-amino-3-methylbutanoate

2-[3-methylpentyl(propyl)amino]ethyl 2-amino-3-methylbutanoate (PubChem CID 123845867) has the molecular formula C16H34N2O2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 2-[3-methylpentyl(propyl)amino]ethyl 2-amino-3-methylbutanoate.

Molecular Properties

Compound Name2-[3-methylpentyl(propyl)amino]ethyl 2-amino-3-methylbutanoate
PubChem CID123845867
Molecular FormulaC16H34N2O2
Molecular Weight286.46 g/mol
Exact Mass286.26
IUPAC Name2-[3-methylpentyl(propyl)amino]ethyl 2-amino-3-methylbutanoate
SMILESCCCN(CCOC(=O)C(N)C(C)C)CCC(C)CC
InChIInChI=1S/C16H34N2O2/c1-6-9-18(10-8-14(5)7-2)11-12-20-16(19)15(17)13(3)4/h13-15H,6-12,17H2,1-5H3
InChIKeyIDZOJHGVRCKHJX-UHFFFAOYSA-N
XLogP2.66
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-3-methyl-N-propylpentan-1-amine
CID 126690332
pentyl (2S)-2-amino-3-methylbutanoate
CID 61302518
3-methyl-N-(2-methylbutyl)-N-propylpentan-1-amine
CID 145192300
dodecyl 2-amino-3-methylbutanoate
CID 6453804
(2S)-2-amino-3-methyl-N,N-dipropylbutanamide
CID 22690786
2-ethoxyethyl 2-amino-3-methylbutanoate
CID 61276999
2-butoxyethyl (2R)-2-amino-3-methylbutanoate
CID 79009790
(2S,3S)-2-amino-3-methyl-N,N-dipropylpentanamide
CID 42314652
3-methyl-N-[(E)-2-methylbut-2-enyl]-N-propylpentan-1-amine
CID 145355662
iodomethyl (2S)-2-amino-3-methylbutanoate
CID 141352500
3-methylpentyl 2-methylbutanoate
CID 3019319
2-ethylhexyl (2S)-2-amino-3-methylbutanoate
CID 61302679

Frequently Asked Questions

What is the IUPAC name of 2-[3-methylpentyl(propyl)amino]ethyl 2-amino-3-methylbutanoate?
The IUPAC name of 2-[3-methylpentyl(propyl)amino]ethyl 2-amino-3-methylbutanoate (CID 123845867) is 2-[3-methylpentyl(propyl)amino]ethyl 2-amino-3-methylbutanoate.
What is the SMILES notation for 2-[3-methylpentyl(propyl)amino]ethyl 2-amino-3-methylbutanoate?
The canonical SMILES for 2-[3-methylpentyl(propyl)amino]ethyl 2-amino-3-methylbutanoate is CCCN(CCOC(=O)C(N)C(C)C)CCC(C)CC.
What is the InChIKey of 2-[3-methylpentyl(propyl)amino]ethyl 2-amino-3-methylbutanoate?
The InChIKey is IDZOJHGVRCKHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O2/c1-6-9-18(10-8-14(5)7-2)11-12-20-16(19)15(17)13(3)4/h13-15H,6-12,17H2,1-5H3.
What are the key properties of 2-[3-methylpentyl(propyl)amino]ethyl 2-amino-3-methylbutanoate?
2-[3-methylpentyl(propyl)amino]ethyl 2-amino-3-methylbutanoate has a molecular weight of 286.46 g/mol, XLogP of 2.66, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methylpentyl(propyl)amino]ethyl 2-amino-3-methylbutanoate is sourced from PubChem (CID 123845867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).