4-[cyclohexylmethyl(methyl)amino]-2-methyl-2-(propylamino)pentanoic acid

C17H34N2O2 — CID 64711667

IUPAC4-[cyclohexylmethyl(methyl)amino]-2-methyl-2-(propylamino)pentanoic acid
SMILESCCCNC(C)(CC(C)N(C)CC1CCCCC1)C(=O)O
InChIInChI=1S/C17H34N2O2/c1-5-11-18-17(3,16(20)21)12-14(2)19(4)13-15-9-7-6-8-10-15/h14-15,18H,5-13H2,1-4H3,(H,20,21)
InChIKeyRPRNPKKNBZZKIO-UHFFFAOYSA-N
MW298.47 g/mol
LogP3.12
Rot. Bonds9

About 4-[cyclohexylmethyl(methyl)amino]-2-methyl-2-(propylamino)pentanoic acid

4-[cyclohexylmethyl(methyl)amino]-2-methyl-2-(propylamino)pentanoic acid (PubChem CID 64711667) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is 4-[cyclohexylmethyl(methyl)amino]-2-methyl-2-(propylamino)pentanoic acid.

Molecular Properties

Compound Name4-[cyclohexylmethyl(methyl)amino]-2-methyl-2-(propylamino)pentanoic acid
PubChem CID64711667
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Name4-[cyclohexylmethyl(methyl)amino]-2-methyl-2-(propylamino)pentanoic acid
SMILESCCCNC(C)(CC(C)N(C)CC1CCCCC1)C(=O)O
InChIInChI=1S/C17H34N2O2/c1-5-11-18-17(3,16(20)21)12-14(2)19(4)13-15-9-7-6-8-10-15/h14-15,18H,5-13H2,1-4H3,(H,20,21)
InChIKeyRPRNPKKNBZZKIO-UHFFFAOYSA-N
XLogP3.12
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-[methyl(oxan-3-ylmethyl)amino]-2-(propylamino)pentanoic acid
CID 64705224
4-[ethyl(methyl)amino]-2-methyl-2-(propylamino)pentanoic acid
CID 64727424
2-methyl-4-[methyl(2-methylpropyl)amino]-2-(propylamino)pentanoic acid
CID 64725842
4-[1-cyclopropylethyl(methyl)amino]-2-methyl-2-(propylamino)pentanoic acid
CID 64711737
4-(2-cyclobutylethoxy)-2-methyl-2-(propylamino)pentanoic acid
CID 106204642
2-(cyclopropylamino)-2-methyl-4-[methyl(oxan-4-ylmethyl)amino]pentanoic acid
CID 64705280
4-[cycloheptyl(methyl)amino]-2-(ethylamino)-2-methylpentanoic acid
CID 64710589
4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(propylamino)butanoic acid
CID 107401133
4-[cyclohexylmethyl(methyl)amino]pentanehydrazide
CID 63577696
4-[cyclopropyl(3-methylbutyl)amino]-2-methyl-2-(propylamino)pentanoic acid
CID 78998498
4-[cyclopentyl(methyl)amino]-2-(ethylamino)-2-methylpentanoic acid
CID 64728207
1-amino-4-[cyclohexylmethyl(methyl)amino]-2-methylpentan-2-ol
CID 64819128

Frequently Asked Questions

What is the IUPAC name of 4-[cyclohexylmethyl(methyl)amino]-2-methyl-2-(propylamino)pentanoic acid?
The IUPAC name of 4-[cyclohexylmethyl(methyl)amino]-2-methyl-2-(propylamino)pentanoic acid (CID 64711667) is 4-[cyclohexylmethyl(methyl)amino]-2-methyl-2-(propylamino)pentanoic acid.
What is the SMILES notation for 4-[cyclohexylmethyl(methyl)amino]-2-methyl-2-(propylamino)pentanoic acid?
The canonical SMILES for 4-[cyclohexylmethyl(methyl)amino]-2-methyl-2-(propylamino)pentanoic acid is CCCNC(C)(CC(C)N(C)CC1CCCCC1)C(=O)O.
What is the InChIKey of 4-[cyclohexylmethyl(methyl)amino]-2-methyl-2-(propylamino)pentanoic acid?
The InChIKey is RPRNPKKNBZZKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-5-11-18-17(3,16(20)21)12-14(2)19(4)13-15-9-7-6-8-10-15/h14-15,18H,5-13H2,1-4H3,(H,20,21).
What are the key properties of 4-[cyclohexylmethyl(methyl)amino]-2-methyl-2-(propylamino)pentanoic acid?
4-[cyclohexylmethyl(methyl)amino]-2-methyl-2-(propylamino)pentanoic acid has a molecular weight of 298.47 g/mol, XLogP of 3.12, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclohexylmethyl(methyl)amino]-2-methyl-2-(propylamino)pentanoic acid is sourced from PubChem (CID 64711667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).